3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine

C18H22N6 — CID 122279677

IUPAC3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESc1nc(C2CC2)cc(N2CCN(c3ccc(C4CC4)nn3)CC2)n1
InChIInChI=1S/C18H22N6/c1-2-13(1)15-5-6-17(22-21-15)23-7-9-24(10-8-23)18-11-16(14-3-4-14)19-12-20-18/h5-6,11-14H,1-4,7-10H2
InChIKeyQJORAOPYKUQZEC-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.35
Rot. Bonds4

About 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine

3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine (PubChem CID 122279677) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
PubChem CID122279677
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESc1nc(C2CC2)cc(N2CCN(c3ccc(C4CC4)nn3)CC2)n1
InChIInChI=1S/C18H22N6/c1-2-13(1)15-5-6-17(22-21-15)23-7-9-24(10-8-23)18-11-16(14-3-4-14)19-12-20-18/h5-6,11-14H,1-4,7-10H2
InChIKeyQJORAOPYKUQZEC-UHFFFAOYSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine (CID 122279677) is 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine is c1nc(C2CC2)cc(N2CCN(c3ccc(C4CC4)nn3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The InChIKey is QJORAOPYKUQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-13(1)15-5-6-17(22-21-15)23-7-9-24(10-8-23)18-11-16(14-3-4-14)19-12-20-18/h5-6,11-14H,1-4,7-10H2.
What are the key properties of 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine has a molecular weight of 322.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 122279677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).