6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H19ClN4 — CID 117139331

IUPAC6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCCC1Cc1nnc2ccc(Cl)cn12
InChIInChI=1S/C14H19ClN4/c1-2-18-8-4-3-5-12(18)9-14-17-16-13-7-6-11(15)10-19(13)14/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyHSGZSWTXVNETFE-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.80
Rot. Bonds3

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

6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139331) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139331
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCCC1Cc1nnc2ccc(Cl)cn12
InChIInChI=1S/C14H19ClN4/c1-2-18-8-4-3-5-12(18)9-14-17-16-13-7-6-11(15)10-19(13)14/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyHSGZSWTXVNETFE-UHFFFAOYSA-N
XLogP2.80
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[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

7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144220
3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82065251
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138303
7-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117144209
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152777
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
CID 117106182
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129906
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139190

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117139331) is 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCCCC1Cc1nnc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HSGZSWTXVNETFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-2-18-8-4-3-5-12(18)9-14-17-16-13-7-6-11(15)10-19(13)14/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).