5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide

C16H29N5 — CID 80512560

IUPAC5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)C(C)CC(C)C)nnc(CC)c1CC
InChIInChI=1S/C16H29N5/c1-7-12-13(8-2)19-20-16(14(12)15(17)18)21(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H3,17,18)
InChIKeyMGASCMYEOXNTKI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.76
Rot. Bonds7

About 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide

5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide (PubChem CID 80512560) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
PubChem CID80512560
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)C(C)CC(C)C)nnc(CC)c1CC
InChIInChI=1S/C16H29N5/c1-7-12-13(8-2)19-20-16(14(12)15(17)18)21(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H3,17,18)
InChIKeyMGASCMYEOXNTKI-UHFFFAOYSA-N
XLogP2.76
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide (CID 80512560) is 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(C)C(C)CC(C)C)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide?
The InChIKey is MGASCMYEOXNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-12-13(8-2)19-20-16(14(12)15(17)18)21(6)11(5)9-10(3)4/h10-11H,7-9H2,1-6H3,(H3,17,18).
What are the key properties of 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide?
5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80512560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).