[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine

C15H14ClN5 — CID 82196353

IUPAC[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCc1ccc(Cl)cc1-n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C15H14ClN5/c1-10-2-3-12(16)8-14(10)21-15(13(9-17)19-20-21)11-4-6-18-7-5-11/h2-8H,9,17H2,1H3
InChIKeyPVJJCKTXRGIABX-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.75
Rot. Bonds3

About [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine

[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine (PubChem CID 82196353) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
PubChem CID82196353
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCc1ccc(Cl)cc1-n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C15H14ClN5/c1-10-2-3-12(16)8-14(10)21-15(13(9-17)19-20-21)11-4-6-18-7-5-11/h2-8H,9,17H2,1H3
InChIKeyPVJJCKTXRGIABX-UHFFFAOYSA-N
XLogP2.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94939085
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332
[5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)triazol-4-yl]methanamine
CID 94936044
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanamine
CID 82195258
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82221614

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine (CID 82196353) is [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine is Cc1ccc(Cl)cc1-n1nnc(CN)c1-c1ccncc1.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The InChIKey is PVJJCKTXRGIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-2-3-12(16)8-14(10)21-15(13(9-17)19-20-21)11-4-6-18-7-5-11/h2-8H,9,17H2,1H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine has a molecular weight of 299.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82196353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).