N-benzyl-N-methyltriazole-1-carboxamide

C11H12N4O — CID 151801601

IUPACN-benzyl-N-methyltriazole-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)n1ccnn1
InChIInChI=1S/C11H12N4O/c1-14(9-10-5-3-2-4-6-10)11(16)15-8-7-12-13-15/h2-8H,9H2,1H3
InChIKeyRYSMMYQMDJOVPD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds2

About N-benzyl-N-methyltriazole-1-carboxamide

N-benzyl-N-methyltriazole-1-carboxamide (PubChem CID 151801601) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-benzyl-N-methyltriazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyltriazole-1-carboxamide
PubChem CID151801601
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-benzyl-N-methyltriazole-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)n1ccnn1
InChIInChI=1S/C11H12N4O/c1-14(9-10-5-3-2-4-6-10)11(16)15-8-7-12-13-15/h2-8H,9H2,1H3
InChIKeyRYSMMYQMDJOVPD-UHFFFAOYSA-N
XLogP1.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyltriazole-1-carboxamide?
The IUPAC name of N-benzyl-N-methyltriazole-1-carboxamide (CID 151801601) is N-benzyl-N-methyltriazole-1-carboxamide.
What is the SMILES notation for N-benzyl-N-methyltriazole-1-carboxamide?
The canonical SMILES for N-benzyl-N-methyltriazole-1-carboxamide is CN(Cc1ccccc1)C(=O)n1ccnn1.
What is the InChIKey of N-benzyl-N-methyltriazole-1-carboxamide?
The InChIKey is RYSMMYQMDJOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-14(9-10-5-3-2-4-6-10)11(16)15-8-7-12-13-15/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-N-methyltriazole-1-carboxamide?
N-benzyl-N-methyltriazole-1-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyltriazole-1-carboxamide is sourced from PubChem (CID 151801601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).