ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine

C9H14F3N3O — CID 167506839

IUPACethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
SMILESCC.CNc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O.C2H6/c1-11-5-2-3-6(13-12-5)14-4-7(8,9)10;1-2/h2-3H,4H2,1H3,(H,11,12);1-2H3
InChIKeyQPCHFKYNHVLOHS-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.49
Rot. Bonds3

About ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine

ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine (PubChem CID 167506839) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
PubChem CID167506839
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Nameethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
SMILESCC.CNc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O.C2H6/c1-11-5-2-3-6(13-12-5)14-4-7(8,9)10;1-2/h2-3H,4H2,1H3,(H,11,12);1-2H3
InChIKeyQPCHFKYNHVLOHS-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
CID 112693131
N,3-dimethyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 161220457
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 115498610
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 151815999
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 175018147
3-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174687460
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide
CID 127267523
[3-(2-hydroxypropan-2-yl)-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]thiourea
CID 163364307
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine?
The IUPAC name of ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine (CID 167506839) is ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine.
What is the SMILES notation for ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine?
The canonical SMILES for ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine is CC.CNc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine?
The InChIKey is QPCHFKYNHVLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.C2H6/c1-11-5-2-3-6(13-12-5)14-4-7(8,9)10;1-2/h2-3H,4H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine?
ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine has a molecular weight of 237.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine is sourced from PubChem (CID 167506839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).