(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

C22H25N2O2P — CID 101129671

IUPAC(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESCCC[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](CCC)P1c1ccccc1
InChIInChI=1S/C22H25N2O2P/c1-3-10-19-23-21(25)17-14-8-9-15-18(17)22(26)24(23)20(11-4-2)27(19)16-12-6-5-7-13-16/h5-9,12-15,19-20H,3-4,10-11H2,1-2H3/t19-,20-/m0/s1
InChIKeySIKHJWANGNYPCB-PMACEKPBSA-N
MW380.43 g/mol
LogP4.58
Rot. Bonds5

About (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione

(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (PubChem CID 101129671) has the molecular formula C22H25N2O2P and a molecular weight of 380.43 g/mol. Its IUPAC name is (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.

Molecular Properties

Compound Name(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
PubChem CID101129671
Molecular FormulaC22H25N2O2P
Molecular Weight380.43 g/mol
Exact Mass380.17
IUPAC Name(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione
SMILESCCC[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](CCC)P1c1ccccc1
InChIInChI=1S/C22H25N2O2P/c1-3-10-19-23-21(25)17-14-8-9-15-18(17)22(26)24(23)20(11-4-2)27(19)16-12-6-5-7-13-16/h5-9,12-15,19-20H,3-4,10-11H2,1-2H3/t19-,20-/m0/s1
InChIKeySIKHJWANGNYPCB-PMACEKPBSA-N
XLogP4.58
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione 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 (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The IUPAC name of (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione (CID 101129671) is (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione.
What is the SMILES notation for (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The canonical SMILES for (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is CCC[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](CCC)P1c1ccccc1.
What is the InChIKey of (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
The InChIKey is SIKHJWANGNYPCB-PMACEKPBSA-N. The full InChI is InChI=1S/C22H25N2O2P/c1-3-10-19-23-21(25)17-14-8-9-15-18(17)22(26)24(23)20(11-4-2)27(19)16-12-6-5-7-13-16/h5-9,12-15,19-20H,3-4,10-11H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione?
(1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione has a molecular weight of 380.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2-phenyl-1,3-dipropyl-1,3-dihydro-[1,2,4]diazaphospholo[1,2-b]phthalazine-5,10-dione is sourced from PubChem (CID 101129671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).