3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C11H8N6 — CID 103130033

IUPAC3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCn1ccc(-c2nnc3cc(C#N)ccn23)n1
InChIInChI=1S/C11H8N6/c1-16-4-3-9(15-16)11-14-13-10-6-8(7-12)2-5-17(10)11/h2-6H,1H3
InChIKeyNVJMETKNRRAXQZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.00
Rot. Bonds1

About 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 103130033) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID103130033
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCn1ccc(-c2nnc3cc(C#N)ccn23)n1
InChIInChI=1S/C11H8N6/c1-16-4-3-9(15-16)11-14-13-10-6-8(7-12)2-5-17(10)11/h2-6H,1H3
InChIKeyNVJMETKNRRAXQZ-UHFFFAOYSA-N
XLogP1.00
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393074

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 103130033) is 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is Cn1ccc(-c2nnc3cc(C#N)ccn23)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is NVJMETKNRRAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c1-16-4-3-9(15-16)11-14-13-10-6-8(7-12)2-5-17(10)11/h2-6H,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 224.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 103130033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).