7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C15H16N4 — CID 54942729

IUPAC7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cccc(CNc2cc(C)cc3ncnn23)c1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-13(6-11)9-16-14-7-12(2)8-15-17-10-18-19(14)15/h3-8,10,16H,9H2,1-2H3
InChIKeyAWRXHWLHPKVAAV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.96
Rot. Bonds3

About 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 54942729) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID54942729
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cccc(CNc2cc(C)cc3ncnn23)c1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-13(6-11)9-16-14-7-12(2)8-15-17-10-18-19(14)15/h3-8,10,16H,9H2,1-2H3
InChIKeyAWRXHWLHPKVAAV-UHFFFAOYSA-N
XLogP2.96
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 54942729) is 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cccc(CNc2cc(C)cc3ncnn23)c1.
What is the InChIKey of 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is AWRXHWLHPKVAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-3-5-13(6-11)9-16-14-7-12(2)8-15-17-10-18-19(14)15/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 54942729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).