3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride

C15H19ClN4 — CID 45264904

IUPAC3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride
SMILESCN1CCN(c2cc(-c3ccccc3)cnn2)CC1.Cl
InChIInChI=1S/C15H18N4.ClH/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13;/h2-6,11-12H,7-10H2,1H3;1H
InChIKeyAVNGVDFYPXCVIG-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.32
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride

3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride (PubChem CID 45264904) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride
PubChem CID45264904
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride
SMILESCN1CCN(c2cc(-c3ccccc3)cnn2)CC1.Cl
InChIInChI=1S/C15H18N4.ClH/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13;/h2-6,11-12H,7-10H2,1H3;1H
InChIKeyAVNGVDFYPXCVIG-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride (CID 45264904) is 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride is CN1CCN(c2cc(-c3ccccc3)cnn2)CC1.Cl.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride?
The InChIKey is AVNGVDFYPXCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.ClH/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13;/h2-6,11-12H,7-10H2,1H3;1H.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride?
3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride is sourced from PubChem (CID 45264904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).