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

C14H14N4 — CID 117141938

IUPAC3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCc1cccc(Cc2nnc3cccc(N)n23)c1
InChIInChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3
InChIKeyDGRFLEBMHKNQHB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.21
Rot. Bonds2

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

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141938) 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-5-amine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117141938
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCc1cccc(Cc2nnc3cccc(N)n23)c1
InChIInChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3
InChIKeyDGRFLEBMHKNQHB-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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Related Compounds

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 82387935
3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138707245
[5-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594127
3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117256946
3-(bromomethyl)-5-[(3-methylphenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302508
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117142098

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141938) is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Cc1cccc(Cc2nnc3cccc(N)n23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DGRFLEBMHKNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-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-5-amine is sourced from PubChem (CID 117141938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).