3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H15N3 — CID 149496307

IUPAC3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C(C)c1nnc2ccccn12
InChIInChI=1S/C11H15N3/c1-8(2)9(3)11-13-12-10-6-4-5-7-14(10)11/h4-9H,1-3H3
InChIKeyZGCFJMXNBZYFAZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.49
Rot. Bonds2

About 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 149496307) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID149496307
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C(C)c1nnc2ccccn12
InChIInChI=1S/C11H15N3/c1-8(2)9(3)11-13-12-10-6-4-5-7-14(10)11/h4-9H,1-3H3
InChIKeyZGCFJMXNBZYFAZ-UHFFFAOYSA-N
XLogP2.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
CID 18477617
[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
CID 171109541
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
CID 113463274

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 149496307) is 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C(C)c1nnc2ccccn12.
What is the InChIKey of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZGCFJMXNBZYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)9(3)11-13-12-10-6-4-5-7-14(10)11/h4-9H,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 149496307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).