1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole

C15H19ClN4 — CID 141028856

IUPAC1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC1CCc2c(C(C)C)nn(-c3ccc(Cl)nn3)c2C1
InChIInChI=1S/C15H19ClN4/c1-9(2)15-11-5-4-10(3)8-12(11)20(19-15)14-7-6-13(16)17-18-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyUPGGQVSDJMWMKQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.56
Rot. Bonds2

About 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole

1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole (PubChem CID 141028856) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
PubChem CID141028856
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC1CCc2c(C(C)C)nn(-c3ccc(Cl)nn3)c2C1
InChIInChI=1S/C15H19ClN4/c1-9(2)15-11-5-4-10(3)8-12(11)20(19-15)14-7-6-13(16)17-18-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyUPGGQVSDJMWMKQ-UHFFFAOYSA-N
XLogP3.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyridazin-3-yl)-6-methyl-3-(2-methylpropyl)-6,7-dihydro-5H-indazol-4-one
CID 22732889
3-tert-butyl-1-(6-chloropyridazin-3-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 22732906
3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
CID 129497823
3-tert-butyl-1-(6-chloropyridazin-3-yl)-6-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732810
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882917
3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine
CID 66022176
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
2-(6-chloropyridazin-3-yl)-3-methyl-3,4-dihydropyrazol-5-amine
CID 83240367
4-chloro-7-methyl-5,6,7,8-tetrahydroquinoline
CID 150264959
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
CID 131113638
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655054

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole (CID 141028856) is 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole is CC1CCc2c(C(C)C)nn(-c3ccc(Cl)nn3)c2C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is UPGGQVSDJMWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9(2)15-11-5-4-10(3)8-12(11)20(19-15)14-7-6-13(16)17-18-14/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole?
1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 290.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 141028856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).