5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one

C9H13ClF2N4O — CID 114447360

IUPAC5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(F)(F)CN)c(Cl)c1=O
InChIInChI=1S/C9H13ClF2N4O/c1-2-16-8(17)7(10)6(3-15-16)14-5-9(11,12)4-13/h3,14H,2,4-5,13H2,1H3
InChIKeyBRTXVDFRGGICPD-UHFFFAOYSA-N
MW266.68 g/mol
LogP0.92
Rot. Bonds5

About 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one

5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one (PubChem CID 114447360) has the molecular formula C9H13ClF2N4O and a molecular weight of 266.68 g/mol. Its IUPAC name is 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
PubChem CID114447360
Molecular FormulaC9H13ClF2N4O
Molecular Weight266.68 g/mol
Exact Mass266.07
IUPAC Name5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(F)(F)CN)c(Cl)c1=O
InChIInChI=1S/C9H13ClF2N4O/c1-2-16-8(17)7(10)6(3-15-16)14-5-9(11,12)4-13/h3,14H,2,4-5,13H2,1H3
InChIKeyBRTXVDFRGGICPD-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
4-chloro-2-ethyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 114093724
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-ethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114440374
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
4-chloro-5-[(2-methoxy-2-methylpropyl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441809
N-[1-[(5-chloro-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438199
2-[2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]ethoxy]acetamide
CID 106239358
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-chloro-5-[(1-cyclopropylcyclopropyl)methylamino]-2-ethylpyridazin-3-one
CID 114096448

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The IUPAC name of 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one (CID 114447360) is 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one is CCn1ncc(NCC(F)(F)CN)c(Cl)c1=O.
What is the InChIKey of 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The InChIKey is BRTXVDFRGGICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF2N4O/c1-2-16-8(17)7(10)6(3-15-16)14-5-9(11,12)4-13/h3,14H,2,4-5,13H2,1H3.
What are the key properties of 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one?
5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one has a molecular weight of 266.68 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one is sourced from PubChem (CID 114447360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).