(2-(3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl)-5-chlorophenyl)(phenyl)methanone

HCID 15567865
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기본 정보

CAS
125316-83-8
표준 SMILES
Cc1nnc(CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey
WWADXOXMCNJJKR-UHFFFAOYSA-N
분자식
C17H15ClN4O
평균 분자량
326.8 g/mol
단동위원소 질량
326.09343878

이름 및 식별자

우선 이름
(2-(3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl)-5-chlorophenyl)(phenyl)methanone
IUPAC
[2-[3-(aminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-chlorophenyl]-phenylmethanone

이름 및 동의어

125316-83-8YEU6X9E275(2-(3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl)-5-chlorophenyl)(phenyl)methanone{2-[3-(Aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl}(phenyl)methanone[2-[3-(aminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-chlorophenyl]-phenylmethanoneMethanone, (2-(3-(aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl)-5-chlorophenyl)phenyl-Methanone, [2-[3-(aminomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-5-chlorophenyl]phenyl-UNII-YEU6X9E275DTXSID201337266METHANONE,[2-[3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL]-5-CHLOROPHENYL]PHENYL-

데이터베이스 식별자

CAS
125316-83-8
PubChem CID
15567865
DTXSID
DTXSID201337266
UNII
YEU6X9E275

물성

구조 계산 물성

XLogP
2.3
극성 표면적
73.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
23

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