1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine

C9H7F6N3 — CID 134869364

IUPAC1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)7(18-17-6)9(13,14)15/h16H,1-3H2
InChIKeyDKTBBKKWKBCOHU-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.16
Rot. Bonds

About 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine

1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine (PubChem CID 134869364) has the molecular formula C9H7F6N3 and a molecular weight of 271.16 g/mol. Its IUPAC name is 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
PubChem CID134869364
Molecular FormulaC9H7F6N3
Molecular Weight271.16 g/mol
Exact Mass271.05
IUPAC Name1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1CCNC2
InChIInChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)7(18-17-6)9(13,14)15/h16H,1-3H2
InChIKeyDKTBBKKWKBCOHU-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-6-yl]ethanone
CID 134869340
6-methyl-1,4-bis(trifluoromethyl)-7,8-dihydro-5H-pyrido[3,4-d]pyridazine
CID 134914329
1-bromo-4-(trifluoromethyl)-5H,6H,7H,8H-pyrido[3,4-d]pyridazine
CID 165802765
3-Chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 23464667
3-Chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 23464684
1,4-Ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
CID 71066739
1,4-Di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
CID 177071124
4-Methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 131187843

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The IUPAC name of 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine (CID 134869364) is 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine.
What is the SMILES notation for 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The canonical SMILES for 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine is FC(F)(F)c1nnc(C(F)(F)F)c2c1CCNC2.
What is the InChIKey of 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
The InChIKey is DKTBBKKWKBCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)7(18-17-6)9(13,14)15/h16H,1-3H2.
What are the key properties of 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine?
1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine has a molecular weight of 271.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine is sourced from PubChem (CID 134869364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).