5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide

C14H22N4O3 — CID 133266154

IUPAC5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-9-13(17-18-16-9)14(19)15-12-4-7-21-8-11(12)10-2-5-20-6-3-10/h10-12H,2-8H2,1H3,(H,15,19)(H,16,17,18)/t11-,12-/m1/s1
InChIKeyPZBMYVQJUIBPAA-VXGBXAGGSA-N
MW294.35 g/mol
LogP0.67
Rot. Bonds3

About 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide

5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide (PubChem CID 133266154) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
PubChem CID133266154
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-9-13(17-18-16-9)14(19)15-12-4-7-21-8-11(12)10-2-5-20-6-3-10/h10-12H,2-8H2,1H3,(H,15,19)(H,16,17,18)/t11-,12-/m1/s1
InChIKeyPZBMYVQJUIBPAA-VXGBXAGGSA-N
XLogP0.67
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-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 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide (CID 133266154) is 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N[C@@H]1CCOC[C@@H]1C1CCOCC1.
What is the InChIKey of 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide?
The InChIKey is PZBMYVQJUIBPAA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-13(17-18-16-9)14(19)15-12-4-7-21-8-11(12)10-2-5-20-6-3-10/h10-12H,2-8H2,1H3,(H,15,19)(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide?
5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 133266154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).