3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

C13H22N6 — CID 55216184

IUPAC3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN(C)C(C)C2)nnc(C)c1C
InChIInChI=1S/C13H22N6/c1-8-7-19(6-5-18(8)4)13-11(12(14)15)9(2)10(3)16-17-13/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeySFTAFCSKVCWZPL-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.52
Rot. Bonds2

About 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 55216184) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID55216184
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN(C)C(C)C2)nnc(C)c1C
InChIInChI=1S/C13H22N6/c1-8-7-19(6-5-18(8)4)13-11(12(14)15)9(2)10(3)16-17-13/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeySFTAFCSKVCWZPL-UHFFFAOYSA-N
XLogP0.52
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.52
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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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
3-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 103534108
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 102781482
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
CID 114541183
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 114536982
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090116
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 66055414

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 55216184) is 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCN(C)C(C)C2)nnc(C)c1C.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is SFTAFCSKVCWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-8-7-19(6-5-18(8)4)13-11(12(14)15)9(2)10(3)16-17-13/h8H,5-7H2,1-4H3,(H3,14,15).
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 55216184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).