3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide

C15H27N5 — CID 80513030

IUPAC3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)C(C)CC)nnc(CC)c1CC
InChIInChI=1S/C15H27N5/c1-6-10(5)20(9-4)15-13(14(16)17)11(7-2)12(8-3)18-19-15/h10H,6-9H2,1-5H3,(H3,16,17)
InChIKeyWNDWZLFGHUFTJH-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.51
Rot. Bonds7

About 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide

3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide (PubChem CID 80513030) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide
PubChem CID80513030
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)C(C)CC)nnc(CC)c1CC
InChIInChI=1S/C15H27N5/c1-6-10(5)20(9-4)15-13(14(16)17)11(7-2)12(8-3)18-19-15/h10H,6-9H2,1-5H3,(H3,16,17)
InChIKeyWNDWZLFGHUFTJH-UHFFFAOYSA-N
XLogP2.51
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.51
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-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide (CID 80513030) is 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(CC)C(C)CC)nnc(CC)c1CC.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide?
The InChIKey is WNDWZLFGHUFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-10(5)20(9-4)15-13(14(16)17)11(7-2)12(8-3)18-19-15/h10H,6-9H2,1-5H3,(H3,16,17).
What are the key properties of 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide?
3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide has a molecular weight of 277.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide is sourced from PubChem (CID 80513030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).