6-chloro-4-N-ethylpyridazine-3,4-diamine

C6H9ClN4 — CID 59176974

IUPAC6-chloro-4-N-ethylpyridazine-3,4-diamine
SMILESCCNc1cc(Cl)nnc1N
InChIInChI=1S/C6H9ClN4/c1-2-9-4-3-5(7)10-11-6(4)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyZEIRVHRQRVEACA-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.14
Rot. Bonds2

About 6-chloro-4-N-ethylpyridazine-3,4-diamine

6-chloro-4-N-ethylpyridazine-3,4-diamine (PubChem CID 59176974) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-4-N-ethylpyridazine-3,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethylpyridazine-3,4-diamine
PubChem CID59176974
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name6-chloro-4-N-ethylpyridazine-3,4-diamine
SMILESCCNc1cc(Cl)nnc1N
InChIInChI=1S/C6H9ClN4/c1-2-9-4-3-5(7)10-11-6(4)8/h3H,2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyZEIRVHRQRVEACA-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethylpyridazine-3,4-diamine?
The IUPAC name of 6-chloro-4-N-ethylpyridazine-3,4-diamine (CID 59176974) is 6-chloro-4-N-ethylpyridazine-3,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethylpyridazine-3,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethylpyridazine-3,4-diamine is CCNc1cc(Cl)nnc1N.
What is the InChIKey of 6-chloro-4-N-ethylpyridazine-3,4-diamine?
The InChIKey is ZEIRVHRQRVEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-2-9-4-3-5(7)10-11-6(4)8/h3H,2H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 6-chloro-4-N-ethylpyridazine-3,4-diamine?
6-chloro-4-N-ethylpyridazine-3,4-diamine has a molecular weight of 172.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethylpyridazine-3,4-diamine is sourced from PubChem (CID 59176974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).