2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one

C6H6F3N3O — CID 175827553

IUPAC2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one
SMILESCc1cnn(N)c(=O)c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-3-2-11-12(10)5(13)4(3)6(7,8)9/h2H,10H2,1H3
InChIKeyGPGRLSVSMKSBQS-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.28
Rot. Bonds

About 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one

2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 175827553) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one
PubChem CID175827553
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one
SMILESCc1cnn(N)c(=O)c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-3-2-11-12(10)5(13)4(3)6(7,8)9/h2H,10H2,1H3
InChIKeyGPGRLSVSMKSBQS-UHFFFAOYSA-N
XLogP0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one (CID 175827553) is 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one is Cc1cnn(N)c(=O)c1C(F)(F)F.
What is the InChIKey of 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is GPGRLSVSMKSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-3-2-11-12(10)5(13)4(3)6(7,8)9/h2H,10H2,1H3.
What are the key properties of 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one?
2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 193.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 175827553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).