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

C10H14ClN3O — CID 117105406

IUPAC3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
SMILESNc1cc(CC2CCOCC2)nnc1Cl
InChIInChI=1S/C10H14ClN3O/c11-10-9(12)6-8(13-14-10)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H2,12,13)
InChIKeyLBCXBNVLNUJNMU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.68
Rot. Bonds2

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

3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine (PubChem CID 117105406) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
PubChem CID117105406
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
SMILESNc1cc(CC2CCOCC2)nnc1Cl
InChIInChI=1S/C10H14ClN3O/c11-10-9(12)6-8(13-14-10)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H2,12,13)
InChIKeyLBCXBNVLNUJNMU-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-6-(oxan-4-ylmethyl)pyridazine
CID 117105414
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
3-chloro-6-(oxan-4-yl)pyridazin-4-amine
CID 117105134
3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
CID 117106123
4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 117105463
4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 117105464
2-(oxan-4-ylmethyl)-1,3,4-oxadiazole
CID 141181283
2-chloro-4-(oxan-4-ylmethylsulfinyl)aniline
CID 81201788
1-(2-amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585
1-(4-amino-3,5-dichlorophenyl)-2-(oxan-4-yl)ethanone
CID 116609881
8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136187
2-[4-chloro-1-(oxan-4-ylmethyl)phthalazin-6-yl]-5-methyl-1,3-thiazole
CID 167085406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine (CID 117105406) is 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine is Nc1cc(CC2CCOCC2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine?
The InChIKey is LBCXBNVLNUJNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-9(12)6-8(13-14-10)5-7-1-3-15-4-2-7/h6-7H,1-5H2,(H2,12,13).
What are the key properties of 3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine?
3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.68, 2 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-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 117105406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).