6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H17ClN4 — CID 117129973

IUPAC6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCCC1Cc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C13H17ClN4/c1-17-7-3-2-4-11(17)8-12-15-13-6-5-10(14)9-18(13)16-12/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeySGWWYFOMCCLINL-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.41
Rot. Bonds2

About 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117129973) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117129973
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCCC1Cc1nc2ccc(Cl)cn2n1
InChIInChI=1S/C13H17ClN4/c1-17-7-3-2-4-11(17)8-12-15-13-6-5-10(14)9-18(13)16-12/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeySGWWYFOMCCLINL-UHFFFAOYSA-N
XLogP2.41
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129831
2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129871
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129563
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117130961
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117129973) is 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CN1CCCCC1Cc1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SGWWYFOMCCLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17-7-3-2-4-11(17)8-12-15-13-6-5-10(14)9-18(13)16-12/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117129973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).