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

C6H9ClN4 — CID 86723230

IUPAC5-chloro-3-N-ethylpyridazine-3,4-diamine
SMILESCCNc1nncc(Cl)c1N
InChIInChI=1S/C6H9ClN4/c1-2-9-6-5(8)4(7)3-10-11-6/h3H,2H2,1H3,(H2,8,10)(H,9,11)
InChIKeyYCKYFDSKHUYUJC-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.14
Rot. Bonds2

About 5-chloro-3-N-ethylpyridazine-3,4-diamine

5-chloro-3-N-ethylpyridazine-3,4-diamine (PubChem CID 86723230) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 5-chloro-3-N-ethylpyridazine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-3-N-ethylpyridazine-3,4-diamine
PubChem CID86723230
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name5-chloro-3-N-ethylpyridazine-3,4-diamine
SMILESCCNc1nncc(Cl)c1N
InChIInChI=1S/C6H9ClN4/c1-2-9-6-5(8)4(7)3-10-11-6/h3H,2H2,1H3,(H2,8,10)(H,9,11)
InChIKeyYCKYFDSKHUYUJC-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 5-chloro-3-N-ethylpyridazine-3,4-diamine?
The IUPAC name of 5-chloro-3-N-ethylpyridazine-3,4-diamine (CID 86723230) is 5-chloro-3-N-ethylpyridazine-3,4-diamine.
What is the SMILES notation for 5-chloro-3-N-ethylpyridazine-3,4-diamine?
The canonical SMILES for 5-chloro-3-N-ethylpyridazine-3,4-diamine is CCNc1nncc(Cl)c1N.
What is the InChIKey of 5-chloro-3-N-ethylpyridazine-3,4-diamine?
The InChIKey is YCKYFDSKHUYUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-2-9-6-5(8)4(7)3-10-11-6/h3H,2H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 5-chloro-3-N-ethylpyridazine-3,4-diamine?
5-chloro-3-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 5-chloro-3-N-ethylpyridazine-3,4-diamine is sourced from PubChem (CID 86723230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).