N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C13H13N7O — CID 6497089

IUPACN-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(-n3cnnc3)n[nH]2)cc1
InChIInChI=1S/C13H13N7O/c1-2-9-3-5-10(6-4-9)16-12(21)11-17-13(19-18-11)20-7-14-15-8-20/h3-8H,2H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyZJZOELNTYVLQPV-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.20
Rot. Bonds4

About N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 6497089) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID6497089
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2nc(-n3cnnc3)n[nH]2)cc1
InChIInChI=1S/C13H13N7O/c1-2-9-3-5-10(6-4-9)16-12(21)11-17-13(19-18-11)20-7-14-15-8-20/h3-8H,2H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyZJZOELNTYVLQPV-UHFFFAOYSA-N
XLogP1.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948969
N-(4-ethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18140067
N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 7213179
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 6497089) is N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is CCc1ccc(NC(=O)c2nc(-n3cnnc3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZJZOELNTYVLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-9-3-5-10(6-4-9)16-12(21)11-17-13(19-18-11)20-7-14-15-8-20/h3-8H,2H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 6497089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).