N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide

C16H18N6O — CID 56909101

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H18N6O/c1-13-17-8-9-21(13)11-10-20(2)16(23)15-12-22(19-18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUKLLDJPVWCBPPF-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 56909101) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide
PubChem CID56909101
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H18N6O/c1-13-17-8-9-21(13)11-10-20(2)16(23)15-12-22(19-18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUKLLDJPVWCBPPF-UHFFFAOYSA-N
XLogP1.54
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide (CID 56909101) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide is Cc1nccn1CCN(C)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is UKLLDJPVWCBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-13-17-8-9-21(13)11-10-20(2)16(23)15-12-22(19-18-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56909101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).