2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile

C15H11N5O — CID 135960819

IUPAC2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(O)c(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C15H11N5O/c1-9-6-11(4-5-17-9)15-18-14(19-20-15)10-2-3-13(21)12(7-10)8-16/h2-7,21H,1H3,(H,18,19,20)
InChIKeyCWQCHYYZXDLHDT-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.42
Rot. Bonds2

About 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile

2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile (PubChem CID 135960819) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
PubChem CID135960819
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(O)c(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C15H11N5O/c1-9-6-11(4-5-17-9)15-18-14(19-20-15)10-2-3-13(21)12(7-10)8-16/h2-7,21H,1H3,(H,18,19,20)
InChIKeyCWQCHYYZXDLHDT-UHFFFAOYSA-N
XLogP2.42
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Phenol, 2,6-dimethyl-4-[[5-(4-pyridinyl)-1H-1,2,3,4-tetrazol-1-yl]methyl]-
CID 1503698
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
2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570023
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
2-(2-(2-butoxyethoxy)ethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570022
2-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570024
2-(2-cyano-4-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)phenoxy)acetic acid
CID 44570062

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The IUPAC name of 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile (CID 135960819) is 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile.
What is the SMILES notation for 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The canonical SMILES for 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile is Cc1cc(-c2nc(-c3ccc(O)c(C#N)c3)n[nH]2)ccn1.
What is the InChIKey of 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The InChIKey is CWQCHYYZXDLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-9-6-11(4-5-17-9)15-18-14(19-20-15)10-2-3-13(21)12(7-10)8-16/h2-7,21H,1H3,(H,18,19,20).
What are the key properties of 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile has a molecular weight of 277.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile is sourced from PubChem (CID 135960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).