3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine

C12H16N2 — CID 123487963

IUPAC3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine
SMILESCC(C)C1(C)C=NN2C=CC=CC2=C1
InChIInChI=1S/C12H16N2/c1-10(2)12(3)8-11-6-4-5-7-14(11)13-9-12/h4-10H,1-3H3
InChIKeyBROMXQUQLNVSHW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.92
Rot. Bonds1

About 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine

3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine (PubChem CID 123487963) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine
PubChem CID123487963
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine
SMILESCC(C)C1(C)C=NN2C=CC=CC2=C1
InChIInChI=1S/C12H16N2/c1-10(2)12(3)8-11-6-4-5-7-14(11)13-9-12/h4-10H,1-3H3
InChIKeyBROMXQUQLNVSHW-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine?
The IUPAC name of 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine (CID 123487963) is 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine is CC(C)C1(C)C=NN2C=CC=CC2=C1.
What is the InChIKey of 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine?
The InChIKey is BROMXQUQLNVSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(2)12(3)8-11-6-4-5-7-14(11)13-9-12/h4-10H,1-3H3.
What are the key properties of 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine?
3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine has a molecular weight of 188.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylpyrido[1,2-b]pyridazine is sourced from PubChem (CID 123487963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).