1-chloro-4-(4-propylpiperazin-1-yl)phthalazine

C15H19ClN4 — CID 62140608

IUPAC1-chloro-4-(4-propylpiperazin-1-yl)phthalazine
SMILESCCCN1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C15H19ClN4/c1-2-7-19-8-10-20(11-9-19)15-13-6-4-3-5-12(13)14(16)17-18-15/h3-6H,2,7-11H2,1H3
InChIKeyAZTDWXKVNFUJDR-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.82
Rot. Bonds3

About 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine

1-chloro-4-(4-propylpiperazin-1-yl)phthalazine (PubChem CID 62140608) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(4-propylpiperazin-1-yl)phthalazine
PubChem CID62140608
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-chloro-4-(4-propylpiperazin-1-yl)phthalazine
SMILESCCCN1CCN(c2nnc(Cl)c3ccccc23)CC1
InChIInChI=1S/C15H19ClN4/c1-2-7-19-8-10-20(11-9-19)15-13-6-4-3-5-12(13)14(16)17-18-15/h3-6H,2,7-11H2,1H3
InChIKeyAZTDWXKVNFUJDR-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
CID 113418390
[1-(4-propylpiperazin-1-yl)isoquinolin-4-yl]methanamine
CID 106774911
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641
1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62140804
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
1-chloro-4-(3-methylpiperazin-1-yl)phthalazine
CID 76610680
1-chloro-4-(2-ethylimidazol-1-yl)phthalazine
CID 55041373
1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine
CID 134471580
[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
CID 87338891

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine (CID 62140608) is 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine is CCCN1CCN(c2nnc(Cl)c3ccccc23)CC1.
What is the InChIKey of 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine?
The InChIKey is AZTDWXKVNFUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-7-19-8-10-20(11-9-19)15-13-6-4-3-5-12(13)14(16)17-18-15/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine?
1-chloro-4-(4-propylpiperazin-1-yl)phthalazine has a molecular weight of 290.80 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-propylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 62140608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).