3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine

C18H21N7 — CID 71978278

IUPAC3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(Cc4ccccn4)CC3)nn2)n1
InChIInChI=1S/C18H21N7/c1-15-7-9-25(22-15)18-6-5-17(20-21-18)24-12-10-23(11-13-24)14-16-4-2-3-8-19-16/h2-9H,10-14H2,1H3
InChIKeyWICWTDFKAXMGGG-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.69
Rot. Bonds4

About 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine

3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine (PubChem CID 71978278) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
PubChem CID71978278
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(Cc4ccccn4)CC3)nn2)n1
InChIInChI=1S/C18H21N7/c1-15-7-9-25(22-15)18-6-5-17(20-21-18)24-12-10-23(11-13-24)14-16-4-2-3-8-19-16/h2-9H,10-14H2,1H3
InChIKeyWICWTDFKAXMGGG-UHFFFAOYSA-N
XLogP1.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine (CID 71978278) is 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine is Cc1ccn(-c2ccc(N3CCN(Cc4ccccn4)CC3)nn2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The InChIKey is WICWTDFKAXMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-15-7-9-25(22-15)18-6-5-17(20-21-18)24-12-10-23(11-13-24)14-16-4-2-3-8-19-16/h2-9H,10-14H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine has a molecular weight of 335.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 71978278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).