6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide

C10H16N6O — CID 83025477

IUPAC6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide
SMILESCN1CCN(Nc2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C10H16N6O/c1-15-4-6-16(7-5-15)14-9-3-2-8(10(11)17)12-13-9/h2-3H,4-7H2,1H3,(H2,11,17)(H,13,14)
InChIKeyHCEZHWQPMPMTSW-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.85
Rot. Bonds3

About 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide

6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide (PubChem CID 83025477) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide
PubChem CID83025477
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide
SMILESCN1CCN(Nc2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C10H16N6O/c1-15-4-6-16(7-5-15)14-9-3-2-8(10(11)17)12-13-9/h2-3H,4-7H2,1H3,(H2,11,17)(H,13,14)
InChIKeyHCEZHWQPMPMTSW-UHFFFAOYSA-N
XLogP-0.85
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide (CID 83025477) is 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide is CN1CCN(Nc2ccc(C(N)=O)nn2)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide?
The InChIKey is HCEZHWQPMPMTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15-4-6-16(7-5-15)14-9-3-2-8(10(11)17)12-13-9/h2-3H,4-7H2,1H3,(H2,11,17)(H,13,14).
What are the key properties of 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide?
6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 83025477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).