3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol

C14H19N3O — CID 115865825

IUPAC3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol
SMILESCc1nnc(NC(C)(C)C(C)O)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-9-11-7-5-6-8-12(11)13(17-16-9)15-14(3,4)10(2)18/h5-8,10,18H,1-4H3,(H,15,17)
InChIKeyKDLQTDHFNAQUHM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds3

About 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol

3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol (PubChem CID 115865825) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol
PubChem CID115865825
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol
SMILESCc1nnc(NC(C)(C)C(C)O)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-9-11-7-5-6-8-12(11)13(17-16-9)15-14(3,4)10(2)18/h5-8,10,18H,1-4H3,(H,15,17)
InChIKeyKDLQTDHFNAQUHM-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-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 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol?
The IUPAC name of 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol (CID 115865825) is 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol is Cc1nnc(NC(C)(C)C(C)O)c2ccccc12.
What is the InChIKey of 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol?
The InChIKey is KDLQTDHFNAQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-11-7-5-6-8-12(11)13(17-16-9)15-14(3,4)10(2)18/h5-8,10,18H,1-4H3,(H,15,17).
What are the key properties of 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol?
3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol is sourced from PubChem (CID 115865825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).