6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine

C7H7ClF3N3 — CID 130907620

IUPAC6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine
SMILESCC(Nc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)12-6-3-2-5(8)13-14-6/h2-4H,1H3,(H,12,14)
InChIKeyGLJVBFJBCXUNEP-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.49
Rot. Bonds2

About 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine

6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine (PubChem CID 130907620) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine
PubChem CID130907620
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine
SMILESCC(Nc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)12-6-3-2-5(8)13-14-6/h2-4H,1H3,(H,12,14)
InChIKeyGLJVBFJBCXUNEP-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
6-Chloro-N-methylpyridazin-3-amine
CID 588540
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CID 3221059
6-chloro-N-propylpyridazin-3-amine
CID 14517670
6-chloro-N-ethylpyridazin-3-amine
CID 12446653
N'-(6-Chloro-pyridazin-3-yl)-N,N-dimethyl-ethane-1,2-diamine
CID 3227147
Pyridazine, 3-butylamino-6-chloro-
CID 136805
6-chloro-N-(3-methoxypropyl)pyridazin-3-amine
CID 9179275
6-chloro-N-prop-2-ynylpyridazin-3-amine
CID 60674901
6-chloro-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 29300684
3-Chloro-6-(3,3-difluoro-1-azetidinyl)pyridazine
CID 59525706
N-(6-Chloropyridazin-3-yl)-2,2,2-trifluoroacetamide
CID 86235795

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine (CID 130907620) is 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine is CC(Nc1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine?
The InChIKey is GLJVBFJBCXUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)12-6-3-2-5(8)13-14-6/h2-4H,1H3,(H,12,14).
What are the key properties of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine?
6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine has a molecular weight of 225.60 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 130907620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).