5-メチル-1H-1,2,4-トリアゾール-3-アミン

3-Amino-5-methyl-4H-1,2,4-triazole

HCID 234610

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4923-01-7
標準SMILES: Cc1nc(N)n[nH]1
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
分子式: C3H6N4
平均分子量: 98.11 g/mol
単同位体質量: 98.05924619

名称と識別子

優先名称: 3-Amino-5-methyl-4H-1,2,4-triazole
IUPAC: 5-methyl-1H-1,2,4-triazol-3-amine
現地名: 5-メチル-1H-1,2,4-トリアゾール-3-アミン
英語名: 3-AMINO-5-METHYL-4H-1,2,4-TRIAZOLE
分子式: C3H6N4
分子量: 98.11

名称と別名

3-Amino-5-methyl-4H-1,2,4-triazoleRefChem:497419641-003-25-methyl-4H-1,2,4-triazol-3-amine4923-01-75-methyl-1H-1,2,4-triazol-3-amine3-methyl-1H-1,2,4-triazol-5-amine53741-81-45-methyl-4h-1,2,4-triazol-3-ylamine3-Amino-5-methyl-1,2,4-triazole26092-56-81H-1,2,4-Triazol-3-amine, 5-methyl-

名称をさらに表示

5-メチル-1H-1,2,4-トリアゾール-3-アミン3-アミノ-5-メチル-4H-1,2,4-トリアゾール2-methyl-5-amino-1,3,4-triazole1H-1,2,4-Triazol-5-amine,3-methyl-5-Methyl-3-amino-4H-1,2,4-triazole5-Methyl-1H-[1,2,4]triazol-3-ylamin5-Methyl-1H-[1,2,4]triazol-3-ylaMine5-METHYL-4H-[1,2,4]TRIAZOL-3-YLAMINE

3-Amino-5-methyl-1H-1,2,4-triazoleMFCD00205267MFCD00498236UBF98UW595s-Triazole, 3-amino-5-methyl-DTXSID602840013-Amino-5-methyl-1H-s-triazole5-methyl-1,2,4-triazol-3-amine

データベース識別子

CAS: 4923-01-7
PubChem CID: 234610
DTXSID: DTXSID60284001
UNII: UBF98UW595
EC Number: 641-003-2
Nikkaji: J80.925J

物性

構造計算による物性

XLogP: 0
極性表面積: 67.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 64

物理化学的性質

融点: 142 · 142-144
沸点: 345.5 · 345.5±25.0 °C(Predicted)
比重(密度): 1.348 · 1.348±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 11.56 · 11.56±0.40(Predicted)
色: Pale yellow
InChI: InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)
InChIKey: FJRZOOICEHBAED-UHFFFAOYSA-N
SMILES: N1C(N)=NC(C)=N1
CAS データベース: 4923 · 4923-01-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.