3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

C14H12ClN3 — CID 117146970

IUPAC3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(Cc3ccccc3Cl)nnc12
InChIInChI=1S/C14H12ClN3/c1-10-5-4-8-18-13(16-17-14(10)18)9-11-6-2-3-7-12(11)15/h2-8H,9H2,1H3
InChIKeyLQHWBHCJXDHIHK-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.28
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146970) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146970
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(Cc3ccccc3Cl)nnc12
InChIInChI=1S/C14H12ClN3/c1-10-5-4-8-18-13(16-17-14(10)18)9-11-6-2-3-7-12(11)15/h2-8H,9H2,1H3
InChIKeyLQHWBHCJXDHIHK-UHFFFAOYSA-N
XLogP3.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147336
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146706
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146723
3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139617
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
6-chloro-7,8-dimethyl-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 81440331
8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257396
8-methyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146664

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117146970) is 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(Cc3ccccc3Cl)nnc12.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LQHWBHCJXDHIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-5-4-8-18-13(16-17-14(10)18)9-11-6-2-3-7-12(11)15/h2-8H,9H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).