[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine

C16H15ClN4 — CID 82198074

IUPAC[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
SMILESCc1cccc(-n2nnc(CN)c2-c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN4/c1-11-5-4-6-12(9-11)21-16(15(10-18)19-20-21)13-7-2-3-8-14(13)17/h2-9H,10,18H2,1H3
InChIKeySKLGRSQYFPBTJT-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.35
Rot. Bonds3

About [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine

[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82198074) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
PubChem CID82198074
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
SMILESCc1cccc(-n2nnc(CN)c2-c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN4/c1-11-5-4-6-12(9-11)21-16(15(10-18)19-20-21)13-7-2-3-8-14(13)17/h2-9H,10,18H2,1H3
InChIKeySKLGRSQYFPBTJT-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82198010
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
4-(chloromethyl)-1,5-bis(3-methylphenyl)triazole
CID 56769786
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
3-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]benzoic acid
CID 94937823
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine (CID 82198074) is [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine is Cc1cccc(-n2nnc(CN)c2-c2ccccc2Cl)c1.
What is the InChIKey of [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is SKLGRSQYFPBTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-11-5-4-6-12(9-11)21-16(15(10-18)19-20-21)13-7-2-3-8-14(13)17/h2-9H,10,18H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine?
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 298.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).