3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine

C10H14ClN3S — CID 117106123

IUPAC3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
SMILESNc1cc(CC2CCCCS2)nnc1Cl
InChIInChI=1S/C10H14ClN3S/c11-10-9(12)6-7(13-14-10)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,12,13)
InChIKeyMLZUYODWIWJHRZ-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.54
Rot. Bonds2

About 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine

3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine (PubChem CID 117106123) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
PubChem CID117106123
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
SMILESNc1cc(CC2CCCCS2)nnc1Cl
InChIInChI=1S/C10H14ClN3S/c11-10-9(12)6-7(13-14-10)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,12,13)
InChIKeyMLZUYODWIWJHRZ-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
CID 117106065
3-chloro-6-(oxan-4-ylmethyl)pyridazin-4-amine
CID 117105406
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
2,6-dichloro-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 106890621
[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083265
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
CID 115088747
4-chloro-5-fluoro-1-N-(thian-2-ylmethyl)benzene-1,2-diamine
CID 80595124
3-amino-4-(thiolan-2-ylmethyl)phenol
CID 105463437
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
3-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117148653
7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117134556

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine (CID 117106123) is 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine is Nc1cc(CC2CCCCS2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine?
The InChIKey is MLZUYODWIWJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-10-9(12)6-7(13-14-10)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,12,13).
What are the key properties of 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine?
3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine has a molecular weight of 243.76 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 117106123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).