6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile

C14H15N7 — CID 163350137

IUPAC6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCc1cncnc1N1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C14H15N7/c1-11-9-16-10-17-14(11)21-6-4-20(5-7-21)13-3-2-12(8-15)18-19-13/h2-3,9-10H,4-7H2,1H3
InChIKeyWOHAXKXTDMMPGT-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.77
Rot. Bonds2

About 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 163350137) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID163350137
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCc1cncnc1N1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C14H15N7/c1-11-9-16-10-17-14(11)21-6-4-20(5-7-21)13-3-2-12(8-15)18-19-13/h2-3,9-10H,4-7H2,1H3
InChIKeyWOHAXKXTDMMPGT-UHFFFAOYSA-N
XLogP0.77
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile (CID 163350137) is 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile is Cc1cncnc1N1CCN(c2ccc(C#N)nn2)CC1.
What is the InChIKey of 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is WOHAXKXTDMMPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-11-9-16-10-17-14(11)21-6-4-20(5-7-21)13-3-2-12(8-15)18-19-13/h2-3,9-10H,4-7H2,1H3.
What are the key properties of 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 163350137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).