N-(furan-2-ylmethyl)benzotriazole-1-carboxamide

C12H10N4O2 — CID 58271154

IUPACN-(furan-2-ylmethyl)benzotriazole-1-carboxamide
SMILESO=C(NCc1ccco1)n1nnc2ccccc21
InChIInChI=1S/C12H10N4O2/c17-12(13-8-9-4-3-7-18-9)16-11-6-2-1-5-10(11)14-15-16/h1-7H,8H2,(H,13,17)
InChIKeyKIAIJNLLJLSHGX-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.78
Rot. Bonds2

About N-(furan-2-ylmethyl)benzotriazole-1-carboxamide

N-(furan-2-ylmethyl)benzotriazole-1-carboxamide (PubChem CID 58271154) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)benzotriazole-1-carboxamide
PubChem CID58271154
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-(furan-2-ylmethyl)benzotriazole-1-carboxamide
SMILESO=C(NCc1ccco1)n1nnc2ccccc21
InChIInChI=1S/C12H10N4O2/c17-12(13-8-9-4-3-7-18-9)16-11-6-2-1-5-10(11)14-15-16/h1-7H,8H2,(H,13,17)
InChIKeyKIAIJNLLJLSHGX-UHFFFAOYSA-N
XLogP1.78
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
3-(Furan-2-ylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
CID 943730
1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
CID 924295
N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 923826
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
CID 3241170
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-furan-2-ylmethyl-acetamide
CID 6602598
(1-Allyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-amine
CID 3163617
N-(2-furylmethyl)-1-methyl-1H-benzimidazol-2-amine
CID 828729
N-(2-furylmethyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977007
Cambridge id 7080064
CID 2055854
2-[(2-Benzotriazol-1-yl-acetyl)-benzyl-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 3206357

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)benzotriazole-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)benzotriazole-1-carboxamide (CID 58271154) is N-(furan-2-ylmethyl)benzotriazole-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)benzotriazole-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)benzotriazole-1-carboxamide is O=C(NCc1ccco1)n1nnc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)benzotriazole-1-carboxamide?
The InChIKey is KIAIJNLLJLSHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(13-8-9-4-3-7-18-9)16-11-6-2-1-5-10(11)14-15-16/h1-7H,8H2,(H,13,17).
What are the key properties of N-(furan-2-ylmethyl)benzotriazole-1-carboxamide?
N-(furan-2-ylmethyl)benzotriazole-1-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)benzotriazole-1-carboxamide is sourced from PubChem (CID 58271154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).