(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone

C12H18N4O — CID 126857128

IUPAC(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C12H18N4O/c1-10(2)15-6-8-16(9-7-15)12(17)11-4-3-5-13-14-11/h3-5,10H,6-9H2,1-2H3
InChIKeyADAZVLLTMBGKJU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.64
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone

(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone (PubChem CID 126857128) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
PubChem CID126857128
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C12H18N4O/c1-10(2)15-6-8-16(9-7-15)12(17)11-4-3-5-13-14-11/h3-5,10H,6-9H2,1-2H3
InChIKeyADAZVLLTMBGKJU-UHFFFAOYSA-N
XLogP0.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone (CID 126857128) is (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone is CC(C)N1CCN(C(=O)c2cccnn2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone?
The InChIKey is ADAZVLLTMBGKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(2)15-6-8-16(9-7-15)12(17)11-4-3-5-13-14-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone?
(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone is sourced from PubChem (CID 126857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).