2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C13H16N4 — CID 117128388

IUPAC2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCc1ccccc1-c1nc2n(n1)CCC(N)C2
InChIInChI=1S/C13H16N4/c1-9-4-2-3-5-11(9)13-15-12-8-10(14)6-7-17(12)16-13/h2-5,10H,6-8,14H2,1H3
InChIKeyBCSUBHZPONVELW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.53
Rot. Bonds1

About 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117128388) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117128388
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCc1ccccc1-c1nc2n(n1)CCC(N)C2
InChIInChI=1S/C13H16N4/c1-9-4-2-3-5-11(9)13-15-12-8-10(14)6-7-17(12)16-13/h2-5,10H,6-8,14H2,1H3
InChIKeyBCSUBHZPONVELW-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117128388) is 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is Cc1ccccc1-c1nc2n(n1)CCC(N)C2.
What is the InChIKey of 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is BCSUBHZPONVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-2-3-5-11(9)13-15-12-8-10(14)6-7-17(12)16-13/h2-5,10H,6-8,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 228.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).