3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine

C9H12N4 — CID 129169019

IUPAC3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine
SMILESCC(C)c1ccc2nnn(C)c2n1
InChIInChI=1S/C9H12N4/c1-6(2)7-4-5-8-9(10-7)13(3)12-11-8/h4-6H,1-3H3
InChIKeyHDZXQIAWEVIFCF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.49
Rot. Bonds1

About 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine

3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine (PubChem CID 129169019) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine
PubChem CID129169019
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine
SMILESCC(C)c1ccc2nnn(C)c2n1
InChIInChI=1S/C9H12N4/c1-6(2)7-4-5-8-9(10-7)13(3)12-11-8/h4-6H,1-3H3
InChIKeyHDZXQIAWEVIFCF-UHFFFAOYSA-N
XLogP1.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine?
The IUPAC name of 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine (CID 129169019) is 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine is CC(C)c1ccc2nnn(C)c2n1.
What is the InChIKey of 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine?
The InChIKey is HDZXQIAWEVIFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)7-4-5-8-9(10-7)13(3)12-11-8/h4-6H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine?
3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yltriazolo[4,5-b]pyridine is sourced from PubChem (CID 129169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).