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

C16H15ClN4O — CID 94940134

IUPAC[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
SMILESCOc1ccccc1-c1c(CN)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O/c1-22-15-5-3-2-4-13(15)16-14(10-18)19-20-21(16)12-8-6-11(17)7-9-12/h2-9H,10,18H2,1H3
InChIKeyYTAIIAVKOXTIPD-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.06
Rot. Bonds4

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

[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine (PubChem CID 94940134) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
PubChem CID94940134
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
SMILESCOc1ccccc1-c1c(CN)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O/c1-22-15-5-3-2-4-13(15)16-14(10-18)19-20-21(16)12-8-6-11(17)7-9-12/h2-9H,10,18H2,1H3
InChIKeyYTAIIAVKOXTIPD-UHFFFAOYSA-N
XLogP3.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
CID 135003778
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine (CID 94940134) is [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine is COc1ccccc1-c1c(CN)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is YTAIIAVKOXTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-22-15-5-3-2-4-13(15)16-14(10-18)19-20-21(16)12-8-6-11(17)7-9-12/h2-9H,10,18H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine?
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 314.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94940134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).