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

C14H13N5O2 — CID 3241170

IUPAC5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1
InChIInChI=1S/C14H13N5O2/c15-13-12(14(20)16-9-11-7-4-8-21-11)17-18-19(13)10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,20)
InChIKeyIZSOBZCOTDKDMP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.37
Rot. Bonds4

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

5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide (PubChem CID 3241170) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
PubChem CID3241170
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1
InChIInChI=1S/C14H13N5O2/c15-13-12(14(20)16-9-11-7-4-8-21-11)17-18-19(13)10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,20)
InChIKeyIZSOBZCOTDKDMP-UHFFFAOYSA-N
XLogP1.37
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.37
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
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
5-Amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-[(furan-2-YL)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 9551160
5-amino-1-benzyl-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 704517
5-amino-N-(furan-2-ylmethyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 9551124

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide (CID 3241170) is 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide is Nc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is IZSOBZCOTDKDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-13-12(14(20)16-9-11-7-4-8-21-11)17-18-19(13)10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,20).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide?
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.37, 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-phenyltriazole-4-carboxamide is sourced from PubChem (CID 3241170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).