4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one

C13H12ClN3O — CID 962629

IUPAC4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NC2CC2)cnn1-c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-12-11(16-9-6-7-9)8-15-17(13(12)18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2
InChIKeyNSIGQRNDNSMTFY-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one

4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one (PubChem CID 962629) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one
PubChem CID962629
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NC2CC2)cnn1-c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-12-11(16-9-6-7-9)8-15-17(13(12)18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2
InChIKeyNSIGQRNDNSMTFY-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one (CID 962629) is 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one is O=c1c(Cl)c(NC2CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one?
The InChIKey is NSIGQRNDNSMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-11(16-9-6-7-9)8-15-17(13(12)18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2.
What are the key properties of 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one?
4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one has a molecular weight of 261.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopropylamino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 962629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).