5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide

C15H15N5O2 — CID 3237565

IUPAC5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1
InChIInChI=1S/C15H15N5O2/c1-10-4-2-5-11(8-10)20-14(16)13(18-19-20)15(21)17-9-12-6-3-7-22-12/h2-8H,9,16H2,1H3,(H,17,21)
InChIKeyGQRMOQUQVGGAFT-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.68
Rot. Bonds4

About 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 3237565) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID3237565
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1
InChIInChI=1S/C15H15N5O2/c1-10-4-2-5-11(8-10)20-14(16)13(18-19-20)15(21)17-9-12-6-3-7-22-12/h2-8H,9,16H2,1H3,(H,17,21)
InChIKeyGQRMOQUQVGGAFT-UHFFFAOYSA-N
XLogP1.68
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.68
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-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
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
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
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
3-(2,5-Dimethyl-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 135450653

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 3237565) is 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is GQRMOQUQVGGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-4-2-5-11(8-10)20-14(16)13(18-19-20)15(21)17-9-12-6-3-7-22-12/h2-8H,9,16H2,1H3,(H,17,21).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 3237565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).