3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C9H8N6 — CID 63078412

IUPAC3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3ccn[nH]3)n2c1
InChIInChI=1S/C9H8N6/c10-6-1-2-8-13-14-9(15(8)5-6)7-3-4-11-12-7/h1-5H,10H2,(H,11,12)
InChIKeyDZICJNFEBHJWTA-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.70
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 63078412) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID63078412
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3ccn[nH]3)n2c1
InChIInChI=1S/C9H8N6/c10-6-1-2-8-13-14-9(15(8)5-6)7-3-4-11-12-7/h1-5H,10H2,(H,11,12)
InChIKeyDZICJNFEBHJWTA-UHFFFAOYSA-N
XLogP0.70
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 63078412) is 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(-c3ccn[nH]3)n2c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is DZICJNFEBHJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-6-1-2-8-13-14-9(15(8)5-6)7-3-4-11-12-7/h1-5H,10H2,(H,11,12).
What are the key properties of 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 200.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 63078412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).