5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol

C14H19N3O — CID 107269340

IUPAC5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
SMILESCc1nnc(NCCCC(C)O)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(18)6-5-9-15-14-13-8-4-3-7-12(13)11(2)16-17-14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,15,17)
InChIKeyFTTSIWLQWCSABI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds5

About 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol

5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol (PubChem CID 107269340) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
PubChem CID107269340
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
SMILESCc1nnc(NCCCC(C)O)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(18)6-5-9-15-14-13-8-4-3-7-12(13)11(2)16-17-14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,15,17)
InChIKeyFTTSIWLQWCSABI-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol (CID 107269340) is 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol is Cc1nnc(NCCCC(C)O)c2ccccc12.
What is the InChIKey of 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol?
The InChIKey is FTTSIWLQWCSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(18)6-5-9-15-14-13-8-4-3-7-12(13)11(2)16-17-14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,15,17).
What are the key properties of 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol?
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).