6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine

C8H11N3O2 — CID 168991888

IUPAC6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine
SMILESCC1(c2ccc(N)nn2)OCCO1
InChIInChI=1S/C8H11N3O2/c1-8(12-4-5-13-8)6-2-3-7(9)11-10-6/h2-3H,4-5H2,1H3,(H2,9,11)
InChIKeyXWTYUOMLENLYFL-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.28
Rot. Bonds1

About 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine

6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine (PubChem CID 168991888) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine
PubChem CID168991888
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine
SMILESCC1(c2ccc(N)nn2)OCCO1
InChIInChI=1S/C8H11N3O2/c1-8(12-4-5-13-8)6-2-3-7(9)11-10-6/h2-3H,4-5H2,1H3,(H2,9,11)
InChIKeyXWTYUOMLENLYFL-UHFFFAOYSA-N
XLogP0.28
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine (CID 168991888) is 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine is CC1(c2ccc(N)nn2)OCCO1.
What is the InChIKey of 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine?
The InChIKey is XWTYUOMLENLYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(12-4-5-13-8)6-2-3-7(9)11-10-6/h2-3H,4-5H2,1H3,(H2,9,11).
What are the key properties of 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine?
6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine has a molecular weight of 181.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 168991888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).