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

C13H22N4O2 — CID 125436014

IUPACN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyJGVRFQHEZSBEFO-NSHDSACASA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds4

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

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide (PubChem CID 125436014) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
PubChem CID125436014
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyJGVRFQHEZSBEFO-NSHDSACASA-N
XLogP1.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]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 N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide (CID 125436014) is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide is CC(C)[C@H](NC(=O)C1CCOCC1)c1ncnn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The InChIKey is JGVRFQHEZSBEFO-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide is sourced from PubChem (CID 125436014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).