4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one

C10H16N4O2 — CID 102655127

IUPAC4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc([C@@H]2C[C@@H](O)CN2)n1C1CCC1
InChIInChI=1S/C10H16N4O2/c15-7-4-8(11-5-7)9-12-13-10(16)14(9)6-2-1-3-6/h6-8,11,15H,1-5H2,(H,13,16)/t7-,8+/m1/s1
InChIKeyJJGPHQXWQUWPLO-SFYZADRCSA-N
MW224.26 g/mol
LogP-0.31
Rot. Bonds2

About 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one

4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one (PubChem CID 102655127) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
PubChem CID102655127
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc([C@@H]2C[C@@H](O)CN2)n1C1CCC1
InChIInChI=1S/C10H16N4O2/c15-7-4-8(11-5-7)9-12-13-10(16)14(9)6-2-1-3-6/h6-8,11,15H,1-5H2,(H,13,16)/t7-,8+/m1/s1
InChIKeyJJGPHQXWQUWPLO-SFYZADRCSA-N
XLogP-0.31
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 102655126
4-tert-butyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 102655115
3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 102655116
4-butyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 102655119
4-cyclopentyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 102655121
3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102655122
3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-propyl-1H-1,2,4-triazol-5-one
CID 102655124
4-cyclopropyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 102655125
4-ethyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 102655131
3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-(oxolan-3-yl)-1H-1,2,4-triazol-5-one
CID 113721107
4-cyclohexyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one
CID 113721108
3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136854660

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one (CID 102655127) is 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one is O=c1[nH]nc([C@@H]2C[C@@H](O)CN2)n1C1CCC1.
What is the InChIKey of 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is JJGPHQXWQUWPLO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-7-4-8(11-5-7)9-12-13-10(16)14(9)6-2-1-3-6/h6-8,11,15H,1-5H2,(H,13,16)/t7-,8+/m1/s1.
What are the key properties of 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one?
4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 224.26 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 102655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).