1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile

C9H12N4O — CID 65165723

IUPAC1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCC2CCCO2)n1
InChIInChI=1S/C9H12N4O/c10-6-9-11-7-13(12-9)4-3-8-2-1-5-14-8/h7-8H,1-5H2
InChIKeyFOHVNXPIFMTMSO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.72
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile

1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 65165723) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
PubChem CID65165723
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCC2CCCO2)n1
InChIInChI=1S/C9H12N4O/c10-6-9-11-7-13(12-9)4-3-8-2-1-5-14-8/h7-8H,1-5H2
InChIKeyFOHVNXPIFMTMSO-UHFFFAOYSA-N
XLogP0.72
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile (CID 65165723) is 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CCC2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is FOHVNXPIFMTMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-6-9-11-7-13(12-9)4-3-8-2-1-5-14-8/h7-8H,1-5H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 65165723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).