3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H14N4 — CID 62539041

IUPAC3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cccc(Cc2nnc3ccc(N)cn23)c1
InChIInChI=1S/C14H14N4/c1-10-3-2-4-11(7-10)8-14-17-16-13-6-5-12(15)9-18(13)14/h2-7,9H,8,15H2,1H3
InChIKeyNVZRWGUDLSCDAV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.21
Rot. Bonds2

About 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 62539041) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID62539041
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1cccc(Cc2nnc3ccc(N)cn23)c1
InChIInChI=1S/C14H14N4/c1-10-3-2-4-11(7-10)8-14-17-16-13-6-5-12(15)9-18(13)14/h2-7,9H,8,15H2,1H3
InChIKeyNVZRWGUDLSCDAV-UHFFFAOYSA-N
XLogP2.21
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 62539041) is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1cccc(Cc2nnc3ccc(N)cn23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is NVZRWGUDLSCDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-3-2-4-11(7-10)8-14-17-16-13-6-5-12(15)9-18(13)14/h2-7,9H,8,15H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 238.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 62539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).