4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide

C12H17N5O2 — CID 55203257

IUPAC4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCn1cnnc1CCNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C12H17N5O2/c1-17-9-15-16-10(17)2-5-14-11(18)12(8-13)3-6-19-7-4-12/h9H,2-7H2,1H3,(H,14,18)
InChIKeyYSZCIAZPZYUREI-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.21
Rot. Bonds4

About 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide

4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide (PubChem CID 55203257) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
PubChem CID55203257
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
SMILESCn1cnnc1CCNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C12H17N5O2/c1-17-9-15-16-10(17)2-5-14-11(18)12(8-13)3-6-19-7-4-12/h9H,2-7H2,1H3,(H,14,18)
InChIKeyYSZCIAZPZYUREI-UHFFFAOYSA-N
XLogP-0.21
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide 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 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide (CID 55203257) is 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide is Cn1cnnc1CCNC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide?
The InChIKey is YSZCIAZPZYUREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17-9-15-16-10(17)2-5-14-11(18)12(8-13)3-6-19-7-4-12/h9H,2-7H2,1H3,(H,14,18).
What are the key properties of 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide?
4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 55203257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).