4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

C14H10N6O — CID 46882292

IUPAC4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCOc1cc(-c2nc(-c3ccnc(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C14H10N6O/c1-21-12-7-10(3-5-17-12)14-18-13(19-20-14)9-2-4-16-11(6-9)8-15/h2-7H,1H3,(H,18,19,20)
InChIKeyOEXMIPPGSZJGEI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.81
Rot. Bonds3

About 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile (PubChem CID 46882292) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
PubChem CID46882292
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCOc1cc(-c2nc(-c3ccnc(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C14H10N6O/c1-21-12-7-10(3-5-17-12)14-18-13(19-20-14)9-2-4-16-11(6-9)8-15/h2-7H,1H3,(H,18,19,20)
InChIKeyOEXMIPPGSZJGEI-UHFFFAOYSA-N
XLogP1.81
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 661041
2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 9905684
2-(2-methoxyethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 12991045
2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 12991050
2-((2-methoxyethoxy)methoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 22032888
2-(2-(2-methoxyethoxy)ethoxy)-5-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)benzonitrile
CID 25181455
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072888
2-(2-(2-butoxyethoxy)ethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570022
2-(2-hydroxyethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570063
2-(methoxymethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570064
2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)pyridine
CID 46882214

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile (CID 46882292) is 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile is COc1cc(-c2nc(-c3ccnc(C#N)c3)n[nH]2)ccn1.
What is the InChIKey of 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The InChIKey is OEXMIPPGSZJGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-21-12-7-10(3-5-17-12)14-18-13(19-20-14)9-2-4-16-11(6-9)8-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile has a molecular weight of 278.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 46882292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).