1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide

C9H14N4O4 — CID 44578625

IUPAC1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@H]1[C@@H](O)[C@H](n2cnc(C(N)=O)n2)O[C@@H]1CO
InChIInChI=1S/C9H14N4O4/c1-4-5(2-14)17-9(6(4)15)13-3-11-8(12-13)7(10)16/h3-6,9,14-15H,2H2,1H3,(H2,10,16)/t4-,5-,6-,9-/m1/s1
InChIKeyKYYJQVOVLXZOJH-MWKIOEHESA-N
MW242.24 g/mol
LogP-1.74
Rot. Bonds3

About 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide

1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 44578625) has the molecular formula C9H14N4O4 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID44578625
Molecular FormulaC9H14N4O4
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@H]1[C@@H](O)[C@H](n2cnc(C(N)=O)n2)O[C@@H]1CO
InChIInChI=1S/C9H14N4O4/c1-4-5(2-14)17-9(6(4)15)13-3-11-8(12-13)7(10)16/h3-6,9,14-15H,2H2,1H3,(H2,10,16)/t4-,5-,6-,9-/m1/s1
InChIKeyKYYJQVOVLXZOJH-MWKIOEHESA-N
XLogP-1.74
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-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 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 44578625) is 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide is C[C@H]1[C@@H](O)[C@H](n2cnc(C(N)=O)n2)O[C@@H]1CO.
What is the InChIKey of 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KYYJQVOVLXZOJH-MWKIOEHESA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4-5(2-14)17-9(6(4)15)13-3-11-8(12-13)7(10)16/h3-6,9,14-15H,2H2,1H3,(H2,10,16)/t4-,5-,6-,9-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 44578625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).