5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide

C17H18N6O3 — CID 15990733

IUPAC5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c1
InChIInChI=1S/C17H18N6O3/c1-11-4-2-5-12(8-11)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-6-3-7-26-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24)
InChIKeyVGTRNNSFHMSQFW-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.33
Rot. Bonds6

About 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide

5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide (PubChem CID 15990733) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide
PubChem CID15990733
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c1
InChIInChI=1S/C17H18N6O3/c1-11-4-2-5-12(8-11)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-6-3-7-26-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24)
InChIKeyVGTRNNSFHMSQFW-UHFFFAOYSA-N
XLogP1.33
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 2134291
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-1-{2-[(2-ethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237666
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
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
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide (CID 15990733) is 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide is Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)c1.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The InChIKey is VGTRNNSFHMSQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-11-4-2-5-12(8-11)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-6-3-7-26-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide is sourced from PubChem (CID 15990733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).