N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide

C8H14N4O2 — CID 115283707

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,4-13)3-9-7(14)6-10-5-11-12-6/h5,13H,3-4H2,1-2H3,(H,9,14)(H,10,11,12)
InChIKeyUEHPQICEAFMUAJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.45
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115283707) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID115283707
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,4-13)3-9-7(14)6-10-5-11-12-6/h5,13H,3-4H2,1-2H3,(H,9,14)(H,10,11,12)
InChIKeyUEHPQICEAFMUAJ-UHFFFAOYSA-N
XLogP-0.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 75386126
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 3551068
2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63652597
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-(2-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749118
2-[[2-(1H-1,2,4-triazole-5-carbonylamino)acetyl]amino]acetic acid
CID 63653985

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide (CID 115283707) is N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide is CC(C)(CO)CNC(=O)c1ncn[nH]1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UEHPQICEAFMUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,4-13)3-9-7(14)6-10-5-11-12-6/h5,13H,3-4H2,1-2H3,(H,9,14)(H,10,11,12).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115283707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).