6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H18N8 — CID 139023196

IUPAC6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nc(C2CC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C16H18N8/c1-2-12(1)13-9-16(18-10-17-13)23-7-5-22(6-8-23)15-4-3-14-20-19-11-24(14)21-15/h3-4,9-12H,1-2,5-8H2
InChIKeyXLOWZIAVCFFAER-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.12
Rot. Bonds3

About 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 139023196) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID139023196
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1nc(C2CC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C16H18N8/c1-2-12(1)13-9-16(18-10-17-13)23-7-5-22(6-8-23)15-4-3-14-20-19-11-24(14)21-15/h3-4,9-12H,1-2,5-8H2
InChIKeyXLOWZIAVCFFAER-UHFFFAOYSA-N
XLogP1.12
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 139023196) is 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1nc(C2CC2)cc(N2CCN(c3ccc4nncn4n3)CC2)n1.
What is the InChIKey of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XLOWZIAVCFFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-2-12(1)13-9-16(18-10-17-13)23-7-5-22(6-8-23)15-4-3-14-20-19-11-24(14)21-15/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 322.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 139023196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).