4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C9H7ClF3N5O2 — CID 106403072

IUPAC4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2ncon2)cnn1CC(F)(F)F
InChIInChI=1S/C9H7ClF3N5O2/c10-7-5(14-2-6-15-4-20-17-6)1-16-18(8(7)19)3-9(11,12)13/h1,4,14H,2-3H2
InChIKeyFDBWMRVRFCQHPS-UHFFFAOYSA-N
MW309.64 g/mol
LogP1.45
Rot. Bonds4

About 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 106403072) has the molecular formula C9H7ClF3N5O2 and a molecular weight of 309.64 g/mol. Its IUPAC name is 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID106403072
Molecular FormulaC9H7ClF3N5O2
Molecular Weight309.64 g/mol
Exact Mass309.02
IUPAC Name4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2ncon2)cnn1CC(F)(F)F
InChIInChI=1S/C9H7ClF3N5O2/c10-7-5(14-2-6-15-4-20-17-6)1-16-18(8(7)19)3-9(11,12)13/h1,4,14H,2-3H2
InChIKeyFDBWMRVRFCQHPS-UHFFFAOYSA-N
XLogP1.45
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-prop-2-enylpyridazin-3-one
CID 106403227
4-chloro-5-(prop-2-ynylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114436888
4-chloro-5-(3-methylsulfanylpropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114438289
4-chloro-5-[(2-methoxy-2-methylpropyl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441809
4-chloro-5-(2-chloroprop-2-enylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441931
4-chloro-5-(2-cyclopropylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439470
5-(but-3-ynylamino)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114438427
4-chloro-5-(3-methylbutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432239
4-chloro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114435044
4-chloro-5-(cyclobutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437020
4-chloro-5-(2-methylsulfanylpropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442020
2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 106403072) is 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)c(NCc2ncon2)cnn1CC(F)(F)F.
What is the InChIKey of 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is FDBWMRVRFCQHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5O2/c10-7-5(14-2-6-15-4-20-17-6)1-16-18(8(7)19)3-9(11,12)13/h1,4,14H,2-3H2.
What are the key properties of 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 309.64 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1,2,4-oxadiazol-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 106403072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).