3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine

C14H12ClN5 — CID 82370168

IUPAC3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine
SMILESCc1c(Cl)cccc1-n1nnc(-c2ccccn2)c1N
InChIInChI=1S/C14H12ClN5/c1-9-10(15)5-4-7-12(9)20-14(16)13(18-19-20)11-6-2-3-8-17-11/h2-8H,16H2,1H3
InChIKeyOEEQNZBGTISOKG-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.87
Rot. Bonds2

About 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine

3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine (PubChem CID 82370168) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine
PubChem CID82370168
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine
SMILESCc1c(Cl)cccc1-n1nnc(-c2ccccn2)c1N
InChIInChI=1S/C14H12ClN5/c1-9-10(15)5-4-7-12(9)20-14(16)13(18-19-20)11-6-2-3-8-17-11/h2-8H,16H2,1H3
InChIKeyOEEQNZBGTISOKG-UHFFFAOYSA-N
XLogP2.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
CID 82370698
5-amino-1-(3-chloro-2-methylphenyl)triazole-4-carboxylic acid
CID 82298279
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671235
1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82196367
8-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82529168
3-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61354212
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779532
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine (CID 82370168) is 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine is Cc1c(Cl)cccc1-n1nnc(-c2ccccn2)c1N.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The InChIKey is OEEQNZBGTISOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-10(15)5-4-7-12(9)20-14(16)13(18-19-20)11-6-2-3-8-17-11/h2-8H,16H2,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine has a molecular weight of 285.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine is sourced from PubChem (CID 82370168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).