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

C12H18ClN3O — CID 55167570

IUPAC6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCC2CCCOC2)c1C
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)12(16-15-11(8)13)14-6-10-4-3-5-17-7-10/h10H,3-7H2,1-2H3,(H,14,16)
InChIKeyKAXYGWJVJXZJBN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.59
Rot. Bonds3

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

6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine (PubChem CID 55167570) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine
PubChem CID55167570
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCC2CCCOC2)c1C
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)12(16-15-11(8)13)14-6-10-4-3-5-17-7-10/h10H,3-7H2,1-2H3,(H,14,16)
InChIKeyKAXYGWJVJXZJBN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(oxan-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine (CID 55167570) is 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCC2CCCOC2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine?
The InChIKey is KAXYGWJVJXZJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-9(2)12(16-15-11(8)13)14-6-10-4-3-5-17-7-10/h10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(oxan-3-ylmethyl)pyridazin-3-amine has a molecular weight of 255.75 g/mol, XLogP of 2.59, 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-(oxan-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 55167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).