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

C13H21N5O2 — CID 103534108

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(OC)C(OC)C2)nnc(C)c1C
InChIInChI=1S/C13H21N5O2/c1-7-8(2)16-17-13(11(7)12(14)15)18-5-9(19-3)10(6-18)20-4/h9-10H,5-6H2,1-4H3,(H3,14,15)
InChIKeyGAXIPSVAAVMBQP-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.23
Rot. Bonds4

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

3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 103534108) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID103534108
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(OC)C(OC)C2)nnc(C)c1C
InChIInChI=1S/C13H21N5O2/c1-7-8(2)16-17-13(11(7)12(14)15)18-5-9(19-3)10(6-18)20-4/h9-10H,5-6H2,1-4H3,(H3,14,15)
InChIKeyGAXIPSVAAVMBQP-UHFFFAOYSA-N
XLogP0.23
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 55216184
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 66055414
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 102781482
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090116
3-cyclohexyloxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61091609

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 103534108) is 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CC(OC)C(OC)C2)nnc(C)c1C.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is GAXIPSVAAVMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-7-8(2)16-17-13(11(7)12(14)15)18-5-9(19-3)10(6-18)20-4/h9-10H,5-6H2,1-4H3,(H3,14,15).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 103534108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).