N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide

C13H16N4O — CID 47338743

IUPACN-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-13(2,10-6-4-3-5-7-10)9-14-12(18)11-8-15-17-16-11/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLGCLOCWKUUPYFH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.51
Rot. Bonds4

About N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide

N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide (PubChem CID 47338743) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
PubChem CID47338743
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-13(2,10-6-4-3-5-7-10)9-14-12(18)11-8-15-17-16-11/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLGCLOCWKUUPYFH-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
N-(2-hydroxy-2-methylbutyl)-2H-triazole-4-carboxamide
CID 79038825
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
CID 103824821
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
4,6-dichloro-N-(2-methyl-2-phenylpropyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 91032719
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide (CID 47338743) is N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide is CC(C)(CNC(=O)c1cn[nH]n1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide?
The InChIKey is LGCLOCWKUUPYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2,10-6-4-3-5-7-10)9-14-12(18)11-8-15-17-16-11/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide?
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).