1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine

C19H21N5 — CID 20875729

IUPAC1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine
SMILESCN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C19H21N5/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-15-6-8-20-9-7-15/h2-9H,10-14H2,1H3
InChIKeyMNYSGGAJAJKIGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine

1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine (PubChem CID 20875729) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine
PubChem CID20875729
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine
SMILESCN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C19H21N5/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-15-6-8-20-9-7-15/h2-9H,10-14H2,1H3
InChIKeyMNYSGGAJAJKIGY-UHFFFAOYSA-N
XLogP2.37
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine (CID 20875729) is 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine is CN1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine?
The InChIKey is MNYSGGAJAJKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-15-6-8-20-9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine?
1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine has a molecular weight of 319.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine is sourced from PubChem (CID 20875729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).