4-(3-chlorophenyl)-1H-phthalazin-2-amine

C14H12ClN3 — CID 123804740

IUPAC4-(3-chlorophenyl)-1H-phthalazin-2-amine
SMILESNN1Cc2ccccc2C(c2cccc(Cl)c2)=N1
InChIInChI=1S/C14H12ClN3/c15-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-18(16)17-14/h1-8H,9,16H2
InChIKeyIYDQBSJWCVSGSZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.78
Rot. Bonds1

About 4-(3-chlorophenyl)-1H-phthalazin-2-amine

4-(3-chlorophenyl)-1H-phthalazin-2-amine (PubChem CID 123804740) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-phthalazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-phthalazin-2-amine
PubChem CID123804740
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name4-(3-chlorophenyl)-1H-phthalazin-2-amine
SMILESNN1Cc2ccccc2C(c2cccc(Cl)c2)=N1
InChIInChI=1S/C14H12ClN3/c15-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-18(16)17-14/h1-8H,9,16H2
InChIKeyIYDQBSJWCVSGSZ-UHFFFAOYSA-N
XLogP2.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-phthalazin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-1H-phthalazin-2-amine (CID 123804740) is 4-(3-chlorophenyl)-1H-phthalazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-phthalazin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1H-phthalazin-2-amine is NN1Cc2ccccc2C(c2cccc(Cl)c2)=N1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-phthalazin-2-amine?
The InChIKey is IYDQBSJWCVSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-6-3-5-10(8-12)14-13-7-2-1-4-11(13)9-18(16)17-14/h1-8H,9,16H2.
What are the key properties of 4-(3-chlorophenyl)-1H-phthalazin-2-amine?
4-(3-chlorophenyl)-1H-phthalazin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-phthalazin-2-amine is sourced from PubChem (CID 123804740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).