6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

C9H11ClF3N3 — CID 63272307

IUPAC6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCC(F)(F)F)c1C
InChIInChI=1S/C9H11ClF3N3/c1-5-6(2)8(16-15-7(5)10)14-4-3-9(11,12)13/h3-4H2,1-2H3,(H,14,16)
InChIKeyVPVXNTZVKHOGPM-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.11
Rot. Bonds3

About 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (PubChem CID 63272307) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
PubChem CID63272307
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCC(F)(F)F)c1C
InChIInChI=1S/C9H11ClF3N3/c1-5-6(2)8(16-15-7(5)10)14-4-3-9(11,12)13/h3-4H2,1-2H3,(H,14,16)
InChIKeyVPVXNTZVKHOGPM-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55169868
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CID 55169869
CID 55169869
CID 63271501
CID 63271501
CID 63271550
CID 63271550
CID 63271601
CID 63271601
CID 63271640
CID 63271640
CID 63272440
CID 63272440
CID 63833895
CID 63833895
CID 65531582
CID 65531582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (CID 63272307) is 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCCC(F)(F)F)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The InChIKey is VPVXNTZVKHOGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-5-6(2)8(16-15-7(5)10)14-4-3-9(11,12)13/h3-4H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine has a molecular weight of 253.65 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 63272307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).