4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine

C11H18N4O — CID 82731820

IUPAC4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine
SMILESCC1OCCC1N(C)c1nnccc1CN
InChIInChI=1S/C11H18N4O/c1-8-10(4-6-16-8)15(2)11-9(7-12)3-5-13-14-11/h3,5,8,10H,4,6-7,12H2,1-2H3
InChIKeyCGCGOAIVPIRJPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.55
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine

4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine (PubChem CID 82731820) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine
PubChem CID82731820
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine
SMILESCC1OCCC1N(C)c1nnccc1CN
InChIInChI=1S/C11H18N4O/c1-8-10(4-6-16-8)15(2)11-9(7-12)3-5-13-14-11/h3,5,8,10H,4,6-7,12H2,1-2H3
InChIKeyCGCGOAIVPIRJPP-UHFFFAOYSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine (CID 82731820) is 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine is CC1OCCC1N(C)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The InChIKey is CGCGOAIVPIRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-10(4-6-16-8)15(2)11-9(7-12)3-5-13-14-11/h3,5,8,10H,4,6-7,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 82731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).