3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide

C15H27N5 — CID 61377341

IUPAC3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC(C)C)CC(C)C)nnc(C)c1C
InChIInChI=1S/C15H27N5/c1-9(2)7-20(8-10(3)4)15-13(14(16)17)11(5)12(6)18-19-15/h9-10H,7-8H2,1-6H3,(H3,16,17)
InChIKeyWZLCSNVYZFHGLL-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.50
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide

3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61377341) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61377341
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC(C)C)CC(C)C)nnc(C)c1C
InChIInChI=1S/C15H27N5/c1-9(2)7-20(8-10(3)4)15-13(14(16)17)11(5)12(6)18-19-15/h9-10H,7-8H2,1-6H3,(H3,16,17)
InChIKeyWZLCSNVYZFHGLL-UHFFFAOYSA-N
XLogP2.50
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.50
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 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (CID 61377341) is 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(CC(C)C)CC(C)C)nnc(C)c1C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is WZLCSNVYZFHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-9(2)7-20(8-10(3)4)15-13(14(16)17)11(5)12(6)18-19-15/h9-10H,7-8H2,1-6H3,(H3,16,17).
What are the key properties of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 277.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61377341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).