3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

C15H26N6 — CID 62773452

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN(C(C)CC)CC2)nnc(C)c1C
InChIInChI=1S/C15H26N6/c1-5-10(2)20-6-8-21(9-7-20)15-13(14(16)17)11(3)12(4)18-19-15/h10H,5-9H2,1-4H3,(H3,16,17)
InChIKeyRQDRFFZTGKTAST-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.30
Rot. Bonds4

About 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 62773452) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID62773452
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN(C(C)CC)CC2)nnc(C)c1C
InChIInChI=1S/C15H26N6/c1-5-10(2)20-6-8-21(9-7-20)15-13(14(16)17)11(3)12(4)18-19-15/h10H,5-9H2,1-4H3,(H3,16,17)
InChIKeyRQDRFFZTGKTAST-UHFFFAOYSA-N
XLogP1.30
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.30
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-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 62773452) is 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCN(C(C)CC)CC2)nnc(C)c1C.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is RQDRFFZTGKTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-5-10(2)20-6-8-21(9-7-20)15-13(14(16)17)11(3)12(4)18-19-15/h10H,5-9H2,1-4H3,(H3,16,17).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 62773452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).