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

C14H16N4 — CID 105393074

IUPAC3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCC1(C)C(c2nnc3cc(C#N)ccn23)C1(C)C
InChIInChI=1S/C14H16N4/c1-13(2)11(14(13,3)4)12-17-16-10-7-9(8-15)5-6-18(10)12/h5-7,11H,1-4H3
InChIKeyLFCCNKKJWJMQCA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.75
Rot. Bonds1

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

3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393074) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393074
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCC1(C)C(c2nnc3cc(C#N)ccn23)C1(C)C
InChIInChI=1S/C14H16N4/c1-13(2)11(14(13,3)4)12-17-16-10-7-9(8-15)5-6-18(10)12/h5-7,11H,1-4H3
InChIKeyLFCCNKKJWJMQCA-UHFFFAOYSA-N
XLogP2.75
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393195
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
CID 66478269
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 114040622

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393074) is 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is CC1(C)C(c2nnc3cc(C#N)ccn23)C1(C)C.
What is the InChIKey of 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is LFCCNKKJWJMQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-13(2)11(14(13,3)4)12-17-16-10-7-9(8-15)5-6-18(10)12/h5-7,11H,1-4H3.
What are the key properties of 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).