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

C17H15N5O2 — CID 44570063

IUPAC2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(OCCO)c(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C17H15N5O2/c1-11-8-13(4-5-19-11)17-20-16(21-22-17)12-2-3-15(24-7-6-23)14(9-12)10-18/h2-5,8-9,23H,6-7H2,1H3,(H,20,21,22)
InChIKeyCBMCJESNWHOAMA-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.08
Rot. Bonds5

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

2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile (PubChem CID 44570063) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
PubChem CID44570063
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(OCCO)c(C#N)c3)n[nH]2)ccn1
InChIInChI=1S/C17H15N5O2/c1-11-8-13(4-5-19-11)17-20-16(21-22-17)12-2-3-15(24-7-6-23)14(9-12)10-18/h2-5,8-9,23H,6-7H2,1H3,(H,20,21,22)
InChIKeyCBMCJESNWHOAMA-UHFFFAOYSA-N
XLogP2.08
TPSA107.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-[3-(4-Ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 44579400
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
2-(methoxymethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570064
4-(3-(6-isobutoxypyridin-3-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile
CID 46882216

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The IUPAC name of 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile (CID 44570063) is 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile.
What is the SMILES notation for 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The canonical SMILES for 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile is Cc1cc(-c2nc(-c3ccc(OCCO)c(C#N)c3)n[nH]2)ccn1.
What is the InChIKey of 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
The InChIKey is CBMCJESNWHOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-8-13(4-5-19-11)17-20-16(21-22-17)12-2-3-15(24-7-6-23)14(9-12)10-18/h2-5,8-9,23H,6-7H2,1H3,(H,20,21,22).
What are the key properties of 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile?
2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile has a molecular weight of 321.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile is sourced from PubChem (CID 44570063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).