3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide

C12H15N5O — CID 110490504

IUPAC3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide
SMILESCC(C)(NC(=O)n1cnc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N5O/c1-12(2,9-6-4-3-5-7-9)15-11(18)17-8-14-10(13)16-17/h3-8H,1-2H3,(H2,13,16)(H,15,18)
InChIKeyHCMBAENKKYMTOB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.35
Rot. Bonds2

About 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide

3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide (PubChem CID 110490504) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide
PubChem CID110490504
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide
SMILESCC(C)(NC(=O)n1cnc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N5O/c1-12(2,9-6-4-3-5-7-9)15-11(18)17-8-14-10(13)16-17/h3-8H,1-2H3,(H2,13,16)(H,15,18)
InChIKeyHCMBAENKKYMTOB-UHFFFAOYSA-N
XLogP1.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)propan-2-yl]-1,2,4-triazole-1-carboxamide
CID 110490640
2-phenylpropan-2-ylcarbamic acid
CID 23445609
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
5-hydrazinyl-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 114264154
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
CID 88875751
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide (CID 110490504) is 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide is CC(C)(NC(=O)n1cnc(N)n1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide?
The InChIKey is HCMBAENKKYMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-12(2,9-6-4-3-5-7-9)15-11(18)17-8-14-10(13)16-17/h3-8H,1-2H3,(H2,13,16)(H,15,18).
What are the key properties of 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide?
3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 110490504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).