3,6-dichloro-N-methylpyridazin-4-amine

C5H5Cl2N3 — CID 12955489

IUPAC3,6-dichloro-N-methylpyridazin-4-amine
SMILESCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N3/c1-8-3-2-4(6)9-10-5(3)7/h2H,1H3,(H,8,9)
InChIKeyAQXZJGCBDQTQBS-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.83
Rot. Bonds1

About 3,6-dichloro-N-methylpyridazin-4-amine

3,6-dichloro-N-methylpyridazin-4-amine (PubChem CID 12955489) has the molecular formula C5H5Cl2N3 and a molecular weight of 178.02 g/mol. Its IUPAC name is 3,6-dichloro-N-methylpyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methylpyridazin-4-amine
PubChem CID12955489
Molecular FormulaC5H5Cl2N3
Molecular Weight178.02 g/mol
Exact Mass176.99
IUPAC Name3,6-dichloro-N-methylpyridazin-4-amine
SMILESCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N3/c1-8-3-2-4(6)9-10-5(3)7/h2H,1H3,(H,8,9)
InChIKeyAQXZJGCBDQTQBS-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methylpyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-methylpyridazin-4-amine (CID 12955489) is 3,6-dichloro-N-methylpyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-methylpyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-methylpyridazin-4-amine is CNc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methylpyridazin-4-amine?
The InChIKey is AQXZJGCBDQTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3/c1-8-3-2-4(6)9-10-5(3)7/h2H,1H3,(H,8,9).
What are the key properties of 3,6-dichloro-N-methylpyridazin-4-amine?
3,6-dichloro-N-methylpyridazin-4-amine has a molecular weight of 178.02 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methylpyridazin-4-amine is sourced from PubChem (CID 12955489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).