6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine

C12H16N2 — CID 169144840

IUPAC6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCCC(C)(C)c1cc2cccnn2c1
InChIInChI=1S/C12H16N2/c1-4-12(2,3)10-8-11-6-5-7-13-14(11)9-10/h5-9H,4H2,1-3H3
InChIKeyMHBLTXFXDNDQKU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.02
Rot. Bonds2

About 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine

6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine (PubChem CID 169144840) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine
PubChem CID169144840
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine
SMILESCCC(C)(C)c1cc2cccnn2c1
InChIInChI=1S/C12H16N2/c1-4-12(2,3)10-8-11-6-5-7-13-14(11)9-10/h5-9H,4H2,1-3H3
InChIKeyMHBLTXFXDNDQKU-UHFFFAOYSA-N
XLogP3.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine (CID 169144840) is 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine is CCC(C)(C)c1cc2cccnn2c1.
What is the InChIKey of 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine?
The InChIKey is MHBLTXFXDNDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12(2,3)10-8-11-6-5-7-13-14(11)9-10/h5-9H,4H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine?
6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine has a molecular weight of 188.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 169144840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).