N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide

C15H18N4O2 — CID 102684340

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(CCO)C1CCC1
InChIInChI=1S/C15H18N4O2/c20-10-9-18(12-7-4-8-12)15(21)14-11-19(17-16-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,20H,4,7-10H2
InChIKeyOCNKSCQFZSGHBK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.25
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide (PubChem CID 102684340) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
PubChem CID102684340
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nn1)N(CCO)C1CCC1
InChIInChI=1S/C15H18N4O2/c20-10-9-18(12-7-4-8-12)15(21)14-11-19(17-16-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,20H,4,7-10H2
InChIKeyOCNKSCQFZSGHBK-UHFFFAOYSA-N
XLogP1.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-1H-1,2,3-triazole-4-carbaldehyde
CID 1478602
[(1R)-3-methyl-1-[(1-phenyltriazole-4-carbonyl)amino]butyl]boronic acid
CID 155554765
1-[1-(4-Fluorophenyl)-1H-1,2,3-triazole-4-carbonyl]piperidine
CID 53013873
3-Hydroxy-1-[(1-phenyltriazol-4-yl)methyl]pyridin-2-one
CID 71139500
N-cycloheptyl-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 23610473
1-phenyl-1,2,3-triazole-4-N-phenylcarboxamide
CID 46686054
1-(4-fluorophenyl)-N-propyl-1H-1,2,3-triazole-4-carboxamide
CID 49814829
1-(4-fluorophenyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49814838
N-(butan-2-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 49814839
1-(3-fluorophenyl)-N-propyl-1H-1,2,3-triazole-4-carboxamide
CID 49814902
1-(3-fluorophenyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49814912
N-cyclopropyl-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 49814920

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide (CID 102684340) is N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide is O=C(c1cn(-c2ccccc2)nn1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is OCNKSCQFZSGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-10-9-18(12-7-4-8-12)15(21)14-11-19(17-16-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,20H,4,7-10H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 102684340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).