3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole

C15H14N4O — CID 166368459

IUPAC3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole
SMILESCOc1ccc(/C=C/c2nn(C)c3ccccc23)nn1
InChIInChI=1S/C15H14N4O/c1-19-14-6-4-3-5-12(14)13(18-19)9-7-11-8-10-15(20-2)17-16-11/h3-10H,1-2H3/b9-7+
InChIKeyAUYYGMFAKWQJQM-VQHVLOKHSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds3

About 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole

3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole (PubChem CID 166368459) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole.

Molecular Properties

Compound Name3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole
PubChem CID166368459
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole
SMILESCOc1ccc(/C=C/c2nn(C)c3ccccc23)nn1
InChIInChI=1S/C15H14N4O/c1-19-14-6-4-3-5-12(14)13(18-19)9-7-11-8-10-15(20-2)17-16-11/h3-10H,1-2H3/b9-7+
InChIKeyAUYYGMFAKWQJQM-VQHVLOKHSA-N
XLogP2.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxypyridazin-3-yl)-2-(1-methylindazol-3-yl)ethanol
CID 103373474
1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
CID 20816248
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
4-(6-methoxypyridazin-3-yl)but-3-enal
CID 170481536
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562
3-(difluoromethyl)-1-methylindazole
CID 153487584
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
CID 103125238
2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
CID 102698056
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
CID 58883428
1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
CID 20816245
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole?
The IUPAC name of 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole (CID 166368459) is 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole.
What is the SMILES notation for 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole?
The canonical SMILES for 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole is COc1ccc(/C=C/c2nn(C)c3ccccc23)nn1.
What is the InChIKey of 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole?
The InChIKey is AUYYGMFAKWQJQM-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-14-6-4-3-5-12(14)13(18-19)9-7-11-8-10-15(20-2)17-16-11/h3-10H,1-2H3/b9-7+.
What are the key properties of 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole?
3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole has a molecular weight of 266.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole is sourced from PubChem (CID 166368459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).