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

C12H8N4O — CID 105392776

IUPAC3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCc1cc(-c2nnc3ccc(C#N)cn23)co1
InChIInChI=1S/C12H8N4O/c1-8-4-10(7-17-8)12-15-14-11-3-2-9(5-13)6-16(11)12/h2-4,6-7H,1H3
InChIKeyNGVVLHZYYZFNKS-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.17
Rot. Bonds1

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

3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392776) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392776
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCc1cc(-c2nnc3ccc(C#N)cn23)co1
InChIInChI=1S/C12H8N4O/c1-8-4-10(7-17-8)12-15-14-11-3-2-9(5-13)6-16(11)12/h2-4,6-7H,1H3
InChIKeyNGVVLHZYYZFNKS-UHFFFAOYSA-N
XLogP2.17
TPSA67.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392501
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392776) is 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is Cc1cc(-c2nnc3ccc(C#N)cn23)co1.
What is the InChIKey of 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is NGVVLHZYYZFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-8-4-10(7-17-8)12-15-14-11-3-2-9(5-13)6-16(11)12/h2-4,6-7H,1H3.
What are the key properties of 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 224.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).