4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine

C11H18N4O — CID 80508816

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCN(c1nnccc1CN)C1CC1
InChIInChI=1S/C11H18N4O/c1-16-7-6-15(10-2-3-10)11-9(8-12)4-5-13-14-11/h4-5,10H,2-3,6-8,12H2,1H3
InChIKeyIZQBYHBNEPBXFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.55
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine

4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine (PubChem CID 80508816) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine
PubChem CID80508816
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCN(c1nnccc1CN)C1CC1
InChIInChI=1S/C11H18N4O/c1-16-7-6-15(10-2-3-10)11-9(8-12)4-5-13-14-11/h4-5,10H,2-3,6-8,12H2,1H3
InChIKeyIZQBYHBNEPBXFI-UHFFFAOYSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine (CID 80508816) is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine is COCCN(c1nnccc1CN)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine?
The InChIKey is IZQBYHBNEPBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-7-6-15(10-2-3-10)11-9(8-12)4-5-13-14-11/h4-5,10H,2-3,6-8,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine?
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine is sourced from PubChem (CID 80508816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).