6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine

C11H14ClN3 — CID 117139739

IUPAC6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)Cc1nnc2ccc(Cl)cn12
InChIInChI=1S/C11H14ClN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3
InChIKeyOGLFSYAMFYLOES-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.97
Rot. Bonds1

About 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139739) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139739
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)Cc1nnc2ccc(Cl)cn12
InChIInChI=1S/C11H14ClN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3
InChIKeyOGLFSYAMFYLOES-UHFFFAOYSA-N
XLogP2.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
6-chloro-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine
CID 117139725
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 126827692
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide
CID 154843536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139739) is 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)Cc1nnc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OGLFSYAMFYLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 223.71 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).