N-benzyl-2H-benzotriazole-5-carboxamide

C14H12N4O — CID 6411690

IUPACN-benzyl-2H-benzotriazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H12N4O/c19-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18)
InChIKeyLMEZUNCOXQJPMX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.89
Rot. Bonds3

About N-benzyl-2H-benzotriazole-5-carboxamide

N-benzyl-2H-benzotriazole-5-carboxamide (PubChem CID 6411690) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-benzyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2H-benzotriazole-5-carboxamide
PubChem CID6411690
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-benzyl-2H-benzotriazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H12N4O/c19-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18)
InChIKeyLMEZUNCOXQJPMX-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-benzyl-2H-benzotriazole-5-carboxamide (CID 6411690) is N-benzyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-benzyl-2H-benzotriazole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-benzyl-2H-benzotriazole-5-carboxamide?
The InChIKey is LMEZUNCOXQJPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-18-16-12/h1-8H,9H2,(H,15,19)(H,16,17,18).
What are the key properties of N-benzyl-2H-benzotriazole-5-carboxamide?
N-benzyl-2H-benzotriazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 6411690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).