(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone

C11H18N4O2 — CID 103357589

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC(C)(O)C2)n[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-4-8-12-9(14-13-8)10(16)15-6-5-11(2,17)7-15/h17H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGXCOXDDEFFCGBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.35
Rot. Bonds3

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 103357589) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID103357589
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC(C)(O)C2)n[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-4-8-12-9(14-13-8)10(16)15-6-5-11(2,17)7-15/h17H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGXCOXDDEFFCGBX-UHFFFAOYSA-N
XLogP0.35
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(2H-tetrazol-5-yl)methanone
CID 103357587
1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321230
(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 81119527
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745146
[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187
(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone
CID 103358239
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 82750167
methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
CID 107858387
(5-propyl-1H-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 115311107
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone (CID 103357589) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone is CCCc1nc(C(=O)N2CCC(C)(O)C2)n[nH]1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is GXCOXDDEFFCGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-8-12-9(14-13-8)10(16)15-6-5-11(2,17)7-15/h17H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 103357589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).