1-(2,5-dimethylpiperazin-1-yl)phthalazine

C14H18N4 — CID 64983285

IUPAC1-(2,5-dimethylpiperazin-1-yl)phthalazine
SMILESCC1CN(c2nncc3ccccc23)C(C)CN1
InChIInChI=1S/C14H18N4/c1-10-9-18(11(2)7-15-10)14-13-6-4-3-5-12(13)8-16-17-14/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyDWFOYHDZDUZSBC-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.82
Rot. Bonds1

About 1-(2,5-dimethylpiperazin-1-yl)phthalazine

1-(2,5-dimethylpiperazin-1-yl)phthalazine (PubChem CID 64983285) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)phthalazine
PubChem CID64983285
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)phthalazine
SMILESCC1CN(c2nncc3ccccc23)C(C)CN1
InChIInChI=1S/C14H18N4/c1-10-9-18(11(2)7-15-10)14-13-6-4-3-5-12(13)8-16-17-14/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyDWFOYHDZDUZSBC-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-4-(4-fluorophenyl)phthalazine
CID 58379034
2-(2,5-dimethylpiperazin-1-yl)-3-methylquinoxaline
CID 64980691
5-(2,5-dimethylpiperazin-1-yl)isoquinoline
CID 64936926
1-chloro-4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrido[3,4-d]pyridazine
CID 87559587
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555
8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
CID 96915582
2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875880
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
1-[2-(chloromethyl)piperidin-1-yl]phthalazine
CID 63392073
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869
6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64983613

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)phthalazine (CID 64983285) is 1-(2,5-dimethylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)phthalazine is CC1CN(c2nncc3ccccc23)C(C)CN1.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)phthalazine?
The InChIKey is DWFOYHDZDUZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-9-18(11(2)7-15-10)14-13-6-4-3-5-12(13)8-16-17-14/h3-6,8,10-11,15H,7,9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)phthalazine?
1-(2,5-dimethylpiperazin-1-yl)phthalazine has a molecular weight of 242.33 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 64983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).