N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide

C9H10N4O2 — CID 86789673

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C9H10N4O2/c1-6-10-9(13(2)12-6)11-8(14)7-4-3-5-15-7/h3-5H,1-2H3,(H,10,11,12,14)
InChIKeyHMRCIERLNDGCBX-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.97
Rot. Bonds2

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 86789673) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID86789673
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C9H10N4O2/c1-6-10-9(13(2)12-6)11-8(14)7-4-3-5-15-7/h3-5H,1-2H3,(H,10,11,12,14)
InChIKeyHMRCIERLNDGCBX-UHFFFAOYSA-N
XLogP0.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 86789667
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 120642444
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-methylpyrazine-2-carboxamide
CID 131960922
4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
CID 19406055
N-(5-bromo-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 955822
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
CID 99802607
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 86789673) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccco2)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is HMRCIERLNDGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-10-9(13(2)12-6)11-8(14)7-4-3-5-15-7/h3-5H,1-2H3,(H,10,11,12,14).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 86789673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).