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

C14H13N5 — CID 82370698

IUPAC3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccccn3)c2N)cc1
InChIInChI=1S/C14H13N5/c1-10-5-7-11(8-6-10)19-14(15)13(17-18-19)12-4-2-3-9-16-12/h2-9H,15H2,1H3
InChIKeyUMLBAGCYKOOVPX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

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

3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine (PubChem CID 82370698) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
PubChem CID82370698
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccccn3)c2N)cc1
InChIInChI=1S/C14H13N5/c1-10-5-7-11(8-6-10)19-14(15)13(17-18-19)12-4-2-3-9-16-12/h2-9H,15H2,1H3
InChIKeyUMLBAGCYKOOVPX-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-2-methylphenyl)-5-pyridin-2-yltriazol-4-amine
CID 82370168
5-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)triazol-4-amine
CID 27245430
[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
CID 56686681
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
2-[5-amino-1-(4-methylphenyl)triazol-4-yl]-3H-quinazolin-4-one
CID 155816979
3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
CID 82370682
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
2-(4-methylphenyl)pyridine;silver
CID 121395993
3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The IUPAC name of 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine (CID 82370698) is 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine.
What is the SMILES notation for 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The canonical SMILES for 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine is Cc1ccc(-n2nnc(-c3ccccn3)c2N)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
The InChIKey is UMLBAGCYKOOVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-5-7-11(8-6-10)19-14(15)13(17-18-19)12-4-2-3-9-16-12/h2-9H,15H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine?
3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine is sourced from PubChem (CID 82370698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).