6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide

C13H21N5O — CID 71970531

IUPAC6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CN1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)9-17-5-7-18(8-6-17)12-4-3-11(13(14)19)15-16-12/h3-4,10H,5-9H2,1-2H3,(H2,14,19)
InChIKeyFDZCVUPPPHMKRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.35
Rot. Bonds4

About 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide

6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 71970531) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID71970531
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCC(C)CN1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)9-17-5-7-18(8-6-17)12-4-3-11(13(14)19)15-16-12/h3-4,10H,5-9H2,1-2H3,(H2,14,19)
InChIKeyFDZCVUPPPHMKRW-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 71970531) is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide is CC(C)CN1CCN(c2ccc(C(N)=O)nn2)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is FDZCVUPPPHMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)9-17-5-7-18(8-6-17)12-4-3-11(13(14)19)15-16-12/h3-4,10H,5-9H2,1-2H3,(H2,14,19).
What are the key properties of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide?
6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 71970531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).