1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride

C13H17ClN4 — CID 45264843

IUPAC1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride
SMILESCN1CCN(c2nncc3ccccc23)CC1.Cl
InChIInChI=1S/C13H16N4.ClH/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13;/h2-5,10H,6-9H2,1H3;1H
InChIKeyLTMQHWIPZZHHSV-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.80
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride

1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride (PubChem CID 45264843) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride
PubChem CID45264843
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride
SMILESCN1CCN(c2nncc3ccccc23)CC1.Cl
InChIInChI=1S/C13H16N4.ClH/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13;/h2-5,10H,6-9H2,1H3;1H
InChIKeyLTMQHWIPZZHHSV-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
1-Chloro-4-piperidin-1-yl-phthalazine
CID 768785
1-(4-Ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
CID 6400979
1-Methyl-4-(piperidin-1-yl)phthalazine
CID 658368
(4-Methylpiperidyl)phthalazine
CID 2999531
1-Benzyl-4-piperidinophthalazine
CID 3094226
1-(4-Methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
CID 6409081
2-Butyl-1-phthalazin-1-ylguanidine
CID 12785697
N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine
CID 12785699
1-(4-Methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
3-(4-Methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride
CID 45264904
1-(4-Ethylpiperazin-1-yl)-4-phenylphthalazine
CID 6401093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride (CID 45264843) is 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride is CN1CCN(c2nncc3ccccc23)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride?
The InChIKey is LTMQHWIPZZHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.ClH/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13;/h2-5,10H,6-9H2,1H3;1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride?
1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)phthalazine;hydrochloride is sourced from PubChem (CID 45264843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).