8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H15ClN4 — CID 117146593

IUPAC8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCCCC1c1nnc2c(Cl)cccn12
InChIInChI=1S/C12H15ClN4/c1-16-7-3-2-6-10(16)12-15-14-11-9(13)5-4-8-17(11)12/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyJVZSXIFBHOOACT-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.54
Rot. Bonds1

About 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146593) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146593
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCCCC1c1nnc2c(Cl)cccn12
InChIInChI=1S/C12H15ClN4/c1-16-7-3-2-6-10(16)12-15-14-11-9(13)5-4-8-17(11)12/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyJVZSXIFBHOOACT-UHFFFAOYSA-N
XLogP2.54
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
8-chloro-3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146509
8-chloro-2-(1-methylpiperidin-2-yl)imidazo[1,2-a]pyridine
CID 117136601
8-chloro-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146489
8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146221
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139167
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145740
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 162636407

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146593) is 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CN1CCCCC1c1nnc2c(Cl)cccn12.
What is the InChIKey of 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JVZSXIFBHOOACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-16-7-3-2-6-10(16)12-15-14-11-9(13)5-4-8-17(11)12/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).