7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C9H11N3 — CID 59291756

IUPAC7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1ccn2cnnc2c1
InChIInChI=1S/C9H11N3/c1-7(2)8-3-4-12-6-10-11-9(12)5-8/h3-7H,1-2H3
InChIKeyDPGHEHMCMKDYRH-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.85
Rot. Bonds1

About 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 59291756) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID59291756
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1ccn2cnnc2c1
InChIInChI=1S/C9H11N3/c1-7(2)8-3-4-12-6-10-11-9(12)5-8/h3-7H,1-2H3
InChIKeyDPGHEHMCMKDYRH-UHFFFAOYSA-N
XLogP1.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 59291756) is 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1ccn2cnnc2c1.
What is the InChIKey of 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DPGHEHMCMKDYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(2)8-3-4-12-6-10-11-9(12)5-8/h3-7H,1-2H3.
What are the key properties of 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 161.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 59291756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).