N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide

C18H17N5O2 — CID 56810711

IUPACN-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C18H17N5O2/c1-12-15(22-23(21-12)14-10-6-3-7-11-14)18(25)20-16(17(19)24)13-8-4-2-5-9-13/h2-11,16H,1H3,(H2,19,24)(H,20,25)
InChIKeyCHJUXDQFJSIPOP-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.53
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 56810711) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID56810711
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C18H17N5O2/c1-12-15(22-23(21-12)14-10-6-3-7-11-14)18(25)20-16(17(19)24)13-8-4-2-5-9-13/h2-11,16H,1H3,(H2,19,24)(H,20,25)
InChIKeyCHJUXDQFJSIPOP-UHFFFAOYSA-N
XLogP1.53
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 56810711) is N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NC(C(N)=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is CHJUXDQFJSIPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-15(22-23(21-12)14-10-6-3-7-11-14)18(25)20-16(17(19)24)13-8-4-2-5-9-13/h2-11,16H,1H3,(H2,19,24)(H,20,25).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56810711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).