3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide

C14H20N6 — CID 80513511

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2nc(C)cc2C)nnc(CC)c1CC
InChIInChI=1S/C14H20N6/c1-5-10-11(6-2)17-18-14(12(10)13(15)16)20-9(4)7-8(3)19-20/h7H,5-6H2,1-4H3,(H3,15,16)
InChIKeyAZCKLMOLEBMISD-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.69
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide

3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide (PubChem CID 80513511) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide
PubChem CID80513511
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2nc(C)cc2C)nnc(CC)c1CC
InChIInChI=1S/C14H20N6/c1-5-10-11(6-2)17-18-14(12(10)13(15)16)20-9(4)7-8(3)19-20/h7H,5-6H2,1-4H3,(H3,15,16)
InChIKeyAZCKLMOLEBMISD-UHFFFAOYSA-N
XLogP1.69
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.69
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-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide (CID 80513511) is 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(-n2nc(C)cc2C)nnc(CC)c1CC.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide?
The InChIKey is AZCKLMOLEBMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-10-11(6-2)17-18-14(12(10)13(15)16)20-9(4)7-8(3)19-20/h7H,5-6H2,1-4H3,(H3,15,16).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide?
3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide has a molecular weight of 272.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide is sourced from PubChem (CID 80513511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).