4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine

C13H14ClN3 — CID 62141541

IUPAC4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C13H14ClN3/c1-8(9-6-7-9)15-13-11-5-3-2-4-10(11)12(14)16-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,17)
InChIKeyINNZENAGKJSNKP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds3

About 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine

4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine (PubChem CID 62141541) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
PubChem CID62141541
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C13H14ClN3/c1-8(9-6-7-9)15-13-11-5-3-2-4-10(11)12(14)16-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,17)
InChIKeyINNZENAGKJSNKP-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine 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-benzyl-4-methylphthalazin-1-amine
CID 6401675
N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
4-methyl-N-(2-phenylethyl)phthalazin-1-amine
CID 6416438
1-Chloro-4-piperidin-1-yl-phthalazine
CID 768785
4-methyl-N-prop-2-enyl-1-phthalazinamine
CID 6400919
N-benzyl-4-(4-chlorophenyl)phthalazin-1-amine
CID 6405334
1-Chloro-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phthalazine
CID 44427086
Benzaldehyde, (4-chloro-1-phthalazinyl)methylhydrazone
CID 9587956
1-Phthalazinamine, N-(1-ethylpropyl)-4-phenyl-
CID 6410594
N1,N4-Dicyclopentyl-1,4-phthalazinediamine
CID 1207987
Allyl-(4-chloro-phthalazin-1-yl)-amine
CID 6411090
1-Chloro-4-pyrrolidin-1-yl-phthalazine
CID 46507894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine (CID 62141541) is 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine is CC(Nc1nnc(Cl)c2ccccc12)C1CC1.
What is the InChIKey of 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine?
The InChIKey is INNZENAGKJSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8(9-6-7-9)15-13-11-5-3-2-4-10(11)12(14)16-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine?
4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine has a molecular weight of 247.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine is sourced from PubChem (CID 62141541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).