3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C12H10N6 — CID 105392541

IUPAC3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCc1c(-c2nnc3ccc(C#N)cn23)cnn1C
InChIInChI=1S/C12H10N6/c1-8-10(6-14-17(8)2)12-16-15-11-4-3-9(5-13)7-18(11)12/h3-4,6-7H,1-2H3
InChIKeyHUAVNSMGHUENKZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.31
Rot. Bonds1

About 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392541) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392541
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCc1c(-c2nnc3ccc(C#N)cn23)cnn1C
InChIInChI=1S/C12H10N6/c1-8-10(6-14-17(8)2)12-16-15-11-4-3-9(5-13)7-18(11)12/h3-4,6-7H,1-2H3
InChIKeyHUAVNSMGHUENKZ-UHFFFAOYSA-N
XLogP1.31
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392584
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392853
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040549

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392541) is 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is Cc1c(-c2nnc3ccc(C#N)cn23)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is HUAVNSMGHUENKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-8-10(6-14-17(8)2)12-16-15-11-4-3-9(5-13)7-18(11)12/h3-4,6-7H,1-2H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).