1-N-propylphthalazine-1,4-diamine

C11H14N4 — CID 90689630

IUPAC1-N-propylphthalazine-1,4-diamine
SMILESCCCNc1nnc(N)c2ccccc12
InChIInChI=1S/C11H14N4/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBWRGOZHMXNQLFJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.03
Rot. Bonds3

About 1-N-propylphthalazine-1,4-diamine

1-N-propylphthalazine-1,4-diamine (PubChem CID 90689630) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-N-propylphthalazine-1,4-diamine.

Molecular Properties

Compound Name1-N-propylphthalazine-1,4-diamine
PubChem CID90689630
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-N-propylphthalazine-1,4-diamine
SMILESCCCNc1nnc(N)c2ccccc12
InChIInChI=1S/C11H14N4/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBWRGOZHMXNQLFJ-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-propylphthalazine-1,4-diamine 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

N-butyl-4-methylphthalazin-1-amine
CID 43395112
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
CID 115375506
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
1-(propylamino)isoquinoline-3-carboxamide
CID 62167037
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
2-N-propylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 90445488
2-N-propyl-1H-indole-2,3-diamine
CID 150814806
4-chloro-N-(3-methylsulfonylpropyl)phthalazin-1-amine
CID 62142339
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136

Frequently Asked Questions

What is the IUPAC name of 1-N-propylphthalazine-1,4-diamine?
The IUPAC name of 1-N-propylphthalazine-1,4-diamine (CID 90689630) is 1-N-propylphthalazine-1,4-diamine.
What is the SMILES notation for 1-N-propylphthalazine-1,4-diamine?
The canonical SMILES for 1-N-propylphthalazine-1,4-diamine is CCCNc1nnc(N)c2ccccc12.
What is the InChIKey of 1-N-propylphthalazine-1,4-diamine?
The InChIKey is BWRGOZHMXNQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h3-6H,2,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 1-N-propylphthalazine-1,4-diamine?
1-N-propylphthalazine-1,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propylphthalazine-1,4-diamine is sourced from PubChem (CID 90689630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).