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

C13H22N6 — CID 80513375

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H22N6/c1-10(2)9-18-5-7-19(8-6-18)13-11(12(14)15)3-4-16-17-13/h3-4,10H,5-9H2,1-2H3,(H3,14,15)
InChIKeyZMVRSRBUFITBAP-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.54
Rot. Bonds4

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

3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide (PubChem CID 80513375) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
PubChem CID80513375
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H22N6/c1-10(2)9-18-5-7-19(8-6-18)13-11(12(14)15)3-4-16-17-13/h3-4,10H,5-9H2,1-2H3,(H3,14,15)
InChIKeyZMVRSRBUFITBAP-UHFFFAOYSA-N
XLogP0.54
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide (CID 80513375) is 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide?
The InChIKey is ZMVRSRBUFITBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10(2)9-18-5-7-19(8-6-18)13-11(12(14)15)3-4-16-17-13/h3-4,10H,5-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide?
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).