6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine

C12H18ClN3O — CID 63271628

IUPAC6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine
SMILESCc1c(Cl)nnc(NC(C)C2CCCO2)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9(3)10-5-4-6-17-10/h9-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyAHJLPGSLIBUCTJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.73
Rot. Bonds3

About 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine

6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine (PubChem CID 63271628) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine
PubChem CID63271628
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine
SMILESCc1c(Cl)nnc(NC(C)C2CCCO2)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9(3)10-5-4-6-17-10/h9-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyAHJLPGSLIBUCTJ-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine (CID 63271628) is 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine is Cc1c(Cl)nnc(NC(C)C2CCCO2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine?
The InChIKey is AHJLPGSLIBUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9(3)10-5-4-6-17-10/h9-10H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine has a molecular weight of 255.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 63271628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).