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

C15H14N4O2 — CID 42880848

IUPACN-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14N4O2/c1-11-4-6-12(7-5-11)19-10-17-14(18-19)15(20)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,16,20)
InChIKeyBUHZFUGERIMMHI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.10
Rot. Bonds4

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

N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880848) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880848
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14N4O2/c1-11-4-6-12(7-5-11)19-10-17-14(18-19)15(20)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,16,20)
InChIKeyBUHZFUGERIMMHI-UHFFFAOYSA-N
XLogP2.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
CID 42656771
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
CID 71791372
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42880848) is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BUHZFUGERIMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-4-6-12(7-5-11)19-10-17-14(18-19)15(20)16-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).