N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide

C15H18N4O2 — CID 114630914

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-15(2)12(8-13(15)20)17-14(21)11-9-16-19(18-11)10-6-4-3-5-7-10/h3-7,9,12-13,20H,8H2,1-2H3,(H,17,21)
InChIKeyWVDYWHSEQYCKPB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.16
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide (PubChem CID 114630914) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
PubChem CID114630914
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-15(2)12(8-13(15)20)17-14(21)11-9-16-19(18-11)10-6-4-3-5-7-10/h3-7,9,12-13,20H,8H2,1-2H3,(H,17,21)
InChIKeyWVDYWHSEQYCKPB-UHFFFAOYSA-N
XLogP1.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
CID 114696468
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
CID 81486982
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
3-ethoxy-2,2-dimethyl-1-[(2-phenyltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120700438
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
CID 114628278
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide (CID 114630914) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide is CC1(C)C(O)CC1NC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is WVDYWHSEQYCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)12(8-13(15)20)17-14(21)11-9-16-19(18-11)10-6-4-3-5-7-10/h3-7,9,12-13,20H,8H2,1-2H3,(H,17,21).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 114630914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).