3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine

C12H12ClN5 — CID 39781800

IUPAC3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nn(C)c(Cl)c1-c1nnc2cccc(C)n12
InChIInChI=1S/C12H12ClN5/c1-7-5-4-6-9-14-15-12(18(7)9)10-8(2)16-17(3)11(10)13/h4-6H,1-3H3
InChIKeyGARQXXLLQQMBFI-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.40
Rot. Bonds1

About 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39781800) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39781800
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nn(C)c(Cl)c1-c1nnc2cccc(C)n12
InChIInChI=1S/C12H12ClN5/c1-7-5-4-6-9-14-15-12(18(7)9)10-8(2)16-17(3)11(10)13/h4-6H,1-3H3
InChIKeyGARQXXLLQQMBFI-UHFFFAOYSA-N
XLogP2.40
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 39781800) is 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nn(C)c(Cl)c1-c1nnc2cccc(C)n12.
What is the InChIKey of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GARQXXLLQQMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-7-5-4-6-9-14-15-12(18(7)9)10-8(2)16-17(3)11(10)13/h4-6H,1-3H3.
What are the key properties of 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 261.72 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).