6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide

C9H9ClN6O2 — CID 114037244

IUPAC6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H9ClN6O2/c1-2-18-9-12-8(15-16-9)11-7(17)5-3-4-6(10)14-13-5/h3-4H,2H2,1H3,(H2,11,12,15,16,17)
InChIKeyWGSKBEHRSSVPOX-UHFFFAOYSA-N
MW268.66 g/mol
LogP0.90
Rot. Bonds4

About 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide

6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide (PubChem CID 114037244) has the molecular formula C9H9ClN6O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
PubChem CID114037244
Molecular FormulaC9H9ClN6O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(Cl)nn2)n1
InChIInChI=1S/C9H9ClN6O2/c1-2-18-9-12-8(15-16-9)11-7(17)5-3-4-6(10)14-13-5/h3-4H,2H2,1H3,(H2,11,12,15,16,17)
InChIKeyWGSKBEHRSSVPOX-UHFFFAOYSA-N
XLogP0.90
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
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)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide (CID 114037244) is 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide is CCOc1n[nH]c(NC(=O)c2ccc(Cl)nn2)n1.
What is the InChIKey of 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is WGSKBEHRSSVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O2/c1-2-18-9-12-8(15-16-9)11-7(17)5-3-4-6(10)14-13-5/h3-4H,2H2,1H3,(H2,11,12,15,16,17).
What are the key properties of 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide?
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 268.66 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 114037244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).