2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol

C15H18ClN3O — CID 102633750

IUPAC2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nnc(Cl)c2ccccc12)C1CCCCC1O
InChIInChI=1S/C15H18ClN3O/c1-19(12-8-4-5-9-13(12)20)15-11-7-3-2-6-10(11)14(16)17-18-15/h2-3,6-7,12-13,20H,4-5,8-9H2,1H3
InChIKeyIKUHACDYZFKKPQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.02
Rot. Bonds2

About 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol

2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102633750) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
PubChem CID102633750
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1nnc(Cl)c2ccccc12)C1CCCCC1O
InChIInChI=1S/C15H18ClN3O/c1-19(12-8-4-5-9-13(12)20)15-11-7-3-2-6-10(11)14(16)17-18-15/h2-3,6-7,12-13,20H,4-5,8-9H2,1H3
InChIKeyIKUHACDYZFKKPQ-UHFFFAOYSA-N
XLogP3.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
N-(2-bromocyclohexyl)-N,4-dimethylphthalazin-1-amine
CID 102637599
2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 102640101
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbothioamide
CID 102632263
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol (CID 102633750) is 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol is CN(c1nnc(Cl)c2ccccc12)C1CCCCC1O.
What is the InChIKey of 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is IKUHACDYZFKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19(12-8-4-5-9-13(12)20)15-11-7-3-2-6-10(11)14(16)17-18-15/h2-3,6-7,12-13,20H,4-5,8-9H2,1H3.
What are the key properties of 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol?
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).