5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide

C15H15N5O2 — CID 704517

IUPAC5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1
InChIInChI=1S/C15H15N5O2/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21)
InChIKeyHVGNANWINKAHGE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.43
Rot. Bonds5

About 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide

5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 704517) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide
PubChem CID704517
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1
InChIInChI=1S/C15H15N5O2/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21)
InChIKeyHVGNANWINKAHGE-UHFFFAOYSA-N
XLogP1.43
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
CID 3236382
5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3237565
5-amino-N-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 3236984
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
CID 3241170
5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3245543
5-Amino-1-(2-anilino-2-oxoethyl)-N~4~-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3279863
5-Amino-1-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 5309910
2-(3-benzyl-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310524
5-amino-1-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990769
5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990807
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N~4~-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 16023398

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide (CID 704517) is 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide is Nc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is HVGNANWINKAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-14-13(15(21)17-9-12-7-4-8-22-12)18-19-20(14)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,21).
What are the key properties of 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-N-(furan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 704517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).