[2-(phthalazin-1-ylamino)cyclohexyl]methanol

C15H19N3O — CID 106362271

IUPAC[2-(phthalazin-1-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C15H19N3O/c19-10-12-6-2-4-8-14(12)17-15-13-7-3-1-5-11(13)9-16-18-15/h1,3,5,7,9,12,14,19H,2,4,6,8,10H2,(H,17,18)
InChIKeyLBYQXBLKTKULDW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds3

About [2-(phthalazin-1-ylamino)cyclohexyl]methanol

[2-(phthalazin-1-ylamino)cyclohexyl]methanol (PubChem CID 106362271) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [2-(phthalazin-1-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(phthalazin-1-ylamino)cyclohexyl]methanol
PubChem CID106362271
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[2-(phthalazin-1-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C15H19N3O/c19-10-12-6-2-4-8-14(12)17-15-13-7-3-1-5-11(13)9-16-18-15/h1,3,5,7,9,12,14,19H,2,4,6,8,10H2,(H,17,18)
InChIKeyLBYQXBLKTKULDW-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(phthalazin-1-ylamino)cyclohexyl]methanol 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-(phthalazin-1-ylamino)cyclohexan-1-ol
CID 62358706
2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 66030980
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
N-(2,2-dimethylcyclohexyl)phthalazin-1-amine
CID 79870985
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine
CID 103967080
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
CID 80719667

Frequently Asked Questions

What is the IUPAC name of [2-(phthalazin-1-ylamino)cyclohexyl]methanol?
The IUPAC name of [2-(phthalazin-1-ylamino)cyclohexyl]methanol (CID 106362271) is [2-(phthalazin-1-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(phthalazin-1-ylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(phthalazin-1-ylamino)cyclohexyl]methanol is OCC1CCCCC1Nc1nncc2ccccc12.
What is the InChIKey of [2-(phthalazin-1-ylamino)cyclohexyl]methanol?
The InChIKey is LBYQXBLKTKULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-10-12-6-2-4-8-14(12)17-15-13-7-3-1-5-11(13)9-16-18-15/h1,3,5,7,9,12,14,19H,2,4,6,8,10H2,(H,17,18).
What are the key properties of [2-(phthalazin-1-ylamino)cyclohexyl]methanol?
[2-(phthalazin-1-ylamino)cyclohexyl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phthalazin-1-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 106362271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).