N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide

C13H12N4O2 — CID 18126082

IUPACN-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4O2/c1-17(8-10-3-2-6-19-10)13(18)9-4-5-11-12(7-9)15-16-14-11/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKUEQJMVFXQVYST-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.82
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide

N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 18126082) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID18126082
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4O2/c1-17(8-10-3-2-6-19-10)13(18)9-4-5-11-12(7-9)15-16-14-11/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKUEQJMVFXQVYST-UHFFFAOYSA-N
XLogP1.82
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide (CID 18126082) is N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide is CN(Cc1ccco1)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is KUEQJMVFXQVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17(8-10-3-2-6-19-10)13(18)9-4-5-11-12(7-9)15-16-14-11/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18126082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).