N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide

C8H12N4O2 — CID 104817634

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-2-14-8-10-7(11-12-8)9-6(13)5-3-4-5/h5H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyFFMZJBACINRTJV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.55
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide (PubChem CID 104817634) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
PubChem CID104817634
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
SMILESCCOc1n[nH]c(NC(=O)C2CC2)n1
InChIInChI=1S/C8H12N4O2/c1-2-14-8-10-7(11-12-8)9-6(13)5-3-4-5/h5H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKeyFFMZJBACINRTJV-UHFFFAOYSA-N
XLogP0.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 113456463
(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945672
3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
CID 104817596
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104817854
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 113456556
1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 83090467
N-(2-ethoxypyrimidin-5-yl)cyclopropanecarboxamide
CID 122301831
5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-methyl-5-oxopentanoic acid
CID 104816628
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide (CID 104817634) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide is CCOc1n[nH]c(NC(=O)C2CC2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The InChIKey is FFMZJBACINRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-14-8-10-7(11-12-8)9-6(13)5-3-4-5/h5H,2-4H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 104817634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).