3-chloro-6-(oxan-4-yl)pyridazin-4-amine

C9H12ClN3O — CID 117105134

IUPAC3-chloro-6-(oxan-4-yl)pyridazin-4-amine
SMILESNc1cc(C2CCOCC2)nnc1Cl
InChIInChI=1S/C9H12ClN3O/c10-9-7(11)5-8(12-13-9)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12)
InChIKeyJSJDDOGGUZMKLW-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.61
Rot. Bonds1

About 3-chloro-6-(oxan-4-yl)pyridazin-4-amine

3-chloro-6-(oxan-4-yl)pyridazin-4-amine (PubChem CID 117105134) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-6-(oxan-4-yl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(oxan-4-yl)pyridazin-4-amine
PubChem CID117105134
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-6-(oxan-4-yl)pyridazin-4-amine
SMILESNc1cc(C2CCOCC2)nnc1Cl
InChIInChI=1S/C9H12ClN3O/c10-9-7(11)5-8(12-13-9)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12)
InChIKeyJSJDDOGGUZMKLW-UHFFFAOYSA-N
XLogP1.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
CID 117105406
5-methoxy-2-(oxan-4-yl)pyridin-4-amine
CID 58962706
3,4-dichloro-6-(oxan-3-yl)pyridazine
CID 117105547
6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
CID 138039841
4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
CID 130056243
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
6-(thian-4-yl)pyridazine-3,4-diamine
CID 117105164
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 83705758
5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(oxan-4-yl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(oxan-4-yl)pyridazin-4-amine (CID 117105134) is 3-chloro-6-(oxan-4-yl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(oxan-4-yl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(oxan-4-yl)pyridazin-4-amine is Nc1cc(C2CCOCC2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(oxan-4-yl)pyridazin-4-amine?
The InChIKey is JSJDDOGGUZMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-7(11)5-8(12-13-9)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 3-chloro-6-(oxan-4-yl)pyridazin-4-amine?
3-chloro-6-(oxan-4-yl)pyridazin-4-amine has a molecular weight of 213.67 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(oxan-4-yl)pyridazin-4-amine is sourced from PubChem (CID 117105134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).