5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide

C18H19N5O — CID 27260956

IUPAC5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-12(2)13-8-10-14(11-9-13)20-18(24)16-17(19)23(22-21-16)15-6-4-3-5-7-15/h3-12H,19H2,1-2H3,(H,20,24)
InChIKeySKCNPBXAPDDCQU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds4

About 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide

5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 27260956) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID27260956
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-12(2)13-8-10-14(11-9-13)20-18(24)16-17(19)23(22-21-16)15-6-4-3-5-7-15/h3-12H,19H2,1-2H3,(H,20,24)
InChIKeySKCNPBXAPDDCQU-UHFFFAOYSA-N
XLogP3.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27261131
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7385971
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
5-amino-1-methyl-N-phenyltriazole-4-carboxamide
CID 105470817
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 27260956) is 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)cc1.
What is the InChIKey of 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is SKCNPBXAPDDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12(2)13-8-10-14(11-9-13)20-18(24)16-17(19)23(22-21-16)15-6-4-3-5-7-15/h3-12H,19H2,1-2H3,(H,20,24).
What are the key properties of 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27260956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).