N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine

C12H17F2N3 — CID 167915201

IUPACN-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine
SMILESCC(Nc1cccnn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3/c1-9(16-11-3-2-8-15-17-11)10-4-6-12(13,14)7-5-10/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyIOTQBQPCLRIDER-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine

N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine (PubChem CID 167915201) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine
PubChem CID167915201
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine
SMILESCC(Nc1cccnn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3/c1-9(16-11-3-2-8-15-17-11)10-4-6-12(13,14)7-5-10/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyIOTQBQPCLRIDER-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine (CID 167915201) is N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine is CC(Nc1cccnn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine?
The InChIKey is IOTQBQPCLRIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-9(16-11-3-2-8-15-17-11)10-4-6-12(13,14)7-5-10/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine?
N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine has a molecular weight of 241.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 167915201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).