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

C12H17N3 — CID 138507184

IUPAC3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC(CC)c1nnc2ccccn12
InChIInChI=1S/C12H17N3/c1-3-7-10(4-2)12-14-13-11-8-5-6-9-15(11)12/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyBYEJRSGWOPJLNH-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.02
Rot. Bonds4

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

3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 138507184) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID138507184
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC(CC)c1nnc2ccccn12
InChIInChI=1S/C12H17N3/c1-3-7-10(4-2)12-14-13-11-8-5-6-9-15(11)12/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyBYEJRSGWOPJLNH-UHFFFAOYSA-N
XLogP3.02
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 95317728
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 51103792
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 75482952
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide
CID 71975499
[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
CID 171109541
N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
CID 64633370

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 138507184) is 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine is CCCC(CC)c1nnc2ccccn12.
What is the InChIKey of 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BYEJRSGWOPJLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-7-10(4-2)12-14-13-11-8-5-6-9-15(11)12/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 203.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 138507184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).