4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C11H12N4O2 — CID 590988

IUPAC4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-5-3-8(4-6-9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyFGHSFLDSNPNENM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.46
Rot. Bonds4

About 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 590988) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID590988
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-5-3-8(4-6-9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyFGHSFLDSNPNENM-UHFFFAOYSA-N
XLogP1.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
3,4-diethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3156035
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648
1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine
CID 3235777
N'-(2-{3-nitro-1H-1,2,4-triazol-1-yl}-1-methylethylidene)-4-methoxybenzohydrazide
CID 6079782
4-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993124
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 590988) is 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CCOc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is FGHSFLDSNPNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-9-5-3-8(4-6-9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 590988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).