6-chloropyridazin-3-amine

C4H4ClN3 — CID 21643

IUPAC6-chloropyridazin-3-amine
SMILESNc1ccc(Cl)nn1
InChIInChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKeyDTXVKPOKPFWSFF-UHFFFAOYSA-N
MW129.55 g/mol
LogP0.71
Rot. Bonds

About 6-chloropyridazin-3-amine

6-chloropyridazin-3-amine (PubChem CID 21643) has the molecular formula C4H4ClN3 and a molecular weight of 129.55 g/mol. Its IUPAC name is 6-chloropyridazin-3-amine.

Molecular Properties

Compound Name6-chloropyridazin-3-amine
PubChem CID21643
Molecular FormulaC4H4ClN3
Molecular Weight129.55 g/mol
Exact Mass129.01
IUPAC Name6-chloropyridazin-3-amine
SMILESNc1ccc(Cl)nn1
InChIInChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKeyDTXVKPOKPFWSFF-UHFFFAOYSA-N
XLogP0.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-hydrazinopyridazine
CID 100787
6-Chloro-N-methylpyridazin-3-amine
CID 588540
3-Amino-4-bromo-6-chloropyridazine
CID 22024419
6-Iodopyridazin-3-amine
CID 10867834
6-Chloro-4-methylpyridazin-3-amine
CID 12353664
6-Chloro-5-methylpyridazin-3-amine
CID 12353663
5-Chloropyridazin-3-amine
CID 13670605
6-Fluoropyridazin-3-amine
CID 13719068
4,6-Dichloropyridazin-3-amine
CID 57786789
3-Amino-6-chloro-4-pyridazinecarbonitrile
CID 12370959
3-Pyridazinamine, 6-chloro-N-(trimethylsilyl)-
CID 23263307
Pyridazine, 3-chloro-6-cyclopentylidenhydrazino-
CID 600365

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazin-3-amine?
The IUPAC name of 6-chloropyridazin-3-amine (CID 21643) is 6-chloropyridazin-3-amine.
What is the SMILES notation for 6-chloropyridazin-3-amine?
The canonical SMILES for 6-chloropyridazin-3-amine is Nc1ccc(Cl)nn1.
What is the InChIKey of 6-chloropyridazin-3-amine?
The InChIKey is DTXVKPOKPFWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8).
What are the key properties of 6-chloropyridazin-3-amine?
6-chloropyridazin-3-amine has a molecular weight of 129.55 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazin-3-amine is sourced from PubChem (CID 21643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).