4-(3-Methyl-1H-1,2,4-triazol-1-yl)aniline

HCID 44627476CAS 52739-51-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ncn(-c2ccc(N)cc2)n1
InChIKey
HBAFPUYFVWSDCO-UHFFFAOYSA-N
Molecular formula
C9H10N4
Average molar mass
174.2 g/mol
Monoisotopic mass
174.09054632

Names & identifiers

Preferred name
4-(3-Methyl-1H-1,2,4-triazol-1-yl)aniline
IUPAC
4-(3-methyl-1,2,4-triazol-1-yl)aniline
English name
1-(4-AMINO-PHENYL)-3-METHYL-1,2,4-TRIAZOLE
Molecular formula
C9H10N4
Molecular weight
174.2

Names & synonyms

52739-51-24-(3-Methyl-1H-1,2,4-triazol-1-yl)aniline1-(4-AMINO-PHENYL)-3-METHYL-1,2,4-TRIAZOLE4-(3-methyl-1,2,4-triazol-1-yl)anilineMFCD15525416SCHEMBL719952DTXSID60659730HBAFPUYFVWSDCO-UHFFFAOYSA-NAKOS022817732AS-35460CS-0172196F301037
Show more names
Benzenamine, 4-(3-methyl-1H-1,2,4-triazol-1-yl)-

Database identifiers

CAS
52739-51-2
PubChem CID
44627476
DTXSID
DTXSID60659730

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
56.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
394.3 · 394.3±44.0 °C(Predicted)
Density
1.27 · 1.27±0.1 g/cm3(Predicted)
pka
3.72 · 3.72±0.12(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers2 total

吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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