3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide

C12H21N5 — CID 61089736

IUPAC3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCC)nnc(C)c1C
InChIInChI=1S/C12H21N5/c1-5-7-17(6-2)12-10(11(13)14)8(3)9(4)15-16-12/h5-7H2,1-4H3,(H3,13,14)
InChIKeyWJDDNCHAXKHUMK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds5

About 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide

3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61089736) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61089736
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCC)nnc(C)c1C
InChIInChI=1S/C12H21N5/c1-5-7-17(6-2)12-10(11(13)14)8(3)9(4)15-16-12/h5-7H2,1-4H3,(H3,13,14)
InChIKeyWJDDNCHAXKHUMK-UHFFFAOYSA-N
XLogP1.61
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
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-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (CID 61089736) is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(CC)CCC)nnc(C)c1C.
What is the InChIKey of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is WJDDNCHAXKHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-5-7-17(6-2)12-10(11(13)14)8(3)9(4)15-16-12/h5-7H2,1-4H3,(H3,13,14).
What are the key properties of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61089736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).