4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine

C10H8F3N3 — CID 162561232

IUPAC4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine
SMILESC=C1C=C2C(C)=CC=NN2C(C(F)(F)F)=N1
InChIInChI=1S/C10H8F3N3/c1-6-3-4-14-16-8(6)5-7(2)15-9(16)10(11,12)13/h3-5H,2H2,1H3
InChIKeyZBOFLTHGCPGUNQ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.61
Rot. Bonds

About 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine

4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine (PubChem CID 162561232) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine.

Molecular Properties

Compound Name4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine
PubChem CID162561232
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine
SMILESC=C1C=C2C(C)=CC=NN2C(C(F)(F)F)=N1
InChIInChI=1S/C10H8F3N3/c1-6-3-4-14-16-8(6)5-7(2)15-9(16)10(11,12)13/h3-5H,2H2,1H3
InChIKeyZBOFLTHGCPGUNQ-UHFFFAOYSA-N
XLogP2.61
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine?
The IUPAC name of 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine (CID 162561232) is 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine.
What is the SMILES notation for 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine?
The canonical SMILES for 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine is C=C1C=C2C(C)=CC=NN2C(C(F)(F)F)=N1.
What is the InChIKey of 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine?
The InChIKey is ZBOFLTHGCPGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-6-3-4-14-16-8(6)5-7(2)15-9(16)10(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine?
4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine has a molecular weight of 227.19 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylidene-8-(trifluoromethyl)pyrimido[1,6-b]pyridazine is sourced from PubChem (CID 162561232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).