3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol

C9H12ClN3O — CID 155284735

IUPAC3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c1-9(14)4-6(5-9)11-8-3-2-7(10)12-13-8/h2-3,6,14H,4-5H2,1H3,(H,11,13)
InChIKeyQHYXOHUYUDFMRQ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.46
Rot. Bonds2

About 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol

3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol (PubChem CID 155284735) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
PubChem CID155284735
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClN3O/c1-9(14)4-6(5-9)11-8-3-2-7(10)12-13-8/h2-3,6,14H,4-5H2,1H3,(H,11,13)
InChIKeyQHYXOHUYUDFMRQ-UHFFFAOYSA-N
XLogP1.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol
CID 155284780
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
(1S,5R)-N-(6-chloropyridazin-3-yl)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 154983376
N-(6-chloropyridazin-3-yl)-2-(2,2-dimethyloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 167431537
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
tert-butyl 3-[(6-chloropyridazin-3-yl)amino]azetidine-1-carboxylate
CID 146078205
6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155284839
6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 175538332

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol (CID 155284735) is 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol is CC1(O)CC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol?
The InChIKey is QHYXOHUYUDFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-9(14)4-6(5-9)11-8-3-2-7(10)12-13-8/h2-3,6,14H,4-5H2,1H3,(H,11,13).
What are the key properties of 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol?
3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol has a molecular weight of 213.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 155284735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).