6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one

C9H9ClN3OP — CID 177366312

IUPAC6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CNP)c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN3OP/c10-5-1-2-6-7(3-5)8(4-11-15)12-13-9(6)14/h1-3,11H,4,15H2,(H,13,14)
InChIKeyDNANWPNJSCKWLR-UHFFFAOYSA-N
MW241.62 g/mol
LogP1.46
Rot. Bonds2

About 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one

6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one (PubChem CID 177366312) has the molecular formula C9H9ClN3OP and a molecular weight of 241.62 g/mol. Its IUPAC name is 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one
PubChem CID177366312
Molecular FormulaC9H9ClN3OP
Molecular Weight241.62 g/mol
Exact Mass241.02
IUPAC Name6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CNP)c2cc(Cl)ccc12
InChIInChI=1S/C9H9ClN3OP/c10-5-1-2-6-7(3-5)8(4-11-15)12-13-9(6)14/h1-3,11H,4,15H2,(H,13,14)
InChIKeyDNANWPNJSCKWLR-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
CID 15358733
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
1-[1-[(4-chlorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(3,4-dichlorophenyl)urea
CID 69151484
4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one
CID 156650949
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367409
N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907375
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
1-[1-[(2,4-dichlorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea
CID 69152074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one?
The IUPAC name of 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one (CID 177366312) is 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one is O=c1[nH]nc(CNP)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one?
The InChIKey is DNANWPNJSCKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN3OP/c10-5-1-2-6-7(3-5)8(4-11-15)12-13-9(6)14/h1-3,11H,4,15H2,(H,13,14).
What are the key properties of 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one?
6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one has a molecular weight of 241.62 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(phosphanylamino)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 177366312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).