5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine

C14H24N4 — CID 58227099

IUPAC5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-4-12-5-6-18(10-12)13-7-14(17-16-9-13)15-8-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyVYVZSXGCFUADST-GFCCVEGCSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds5

About 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine

5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine (PubChem CID 58227099) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
PubChem CID58227099
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-4-12-5-6-18(10-12)13-7-14(17-16-9-13)15-8-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyVYVZSXGCFUADST-GFCCVEGCSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine?
The IUPAC name of 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine (CID 58227099) is 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine.
What is the SMILES notation for 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine?
The canonical SMILES for 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine is CC[C@@H]1CCN(c2cnnc(NCC(C)C)c2)C1.
What is the InChIKey of 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine?
The InChIKey is VYVZSXGCFUADST-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-5-6-18(10-12)13-7-14(17-16-9-13)15-8-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine?
5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine is sourced from PubChem (CID 58227099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).