6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine

C7H11ClN4 — CID 143667961

IUPAC6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine
SMILESCCNc1cc(Cl)nnc1NC
InChIInChI=1S/C7H11ClN4/c1-3-10-5-4-6(8)11-12-7(5)9-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyWNQFZMVFLTZNBP-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.60
Rot. Bonds3

About 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine

6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine (PubChem CID 143667961) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine
PubChem CID143667961
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine
SMILESCCNc1cc(Cl)nnc1NC
InChIInChI=1S/C7H11ClN4/c1-3-10-5-4-6(8)11-12-7(5)9-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyWNQFZMVFLTZNBP-UHFFFAOYSA-N
XLogP1.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.60
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-ethyl-3-N-methylpyridazine-3,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine (CID 143667961) is 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine is CCNc1cc(Cl)nnc1NC.
What is the InChIKey of 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine?
The InChIKey is WNQFZMVFLTZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-3-10-5-4-6(8)11-12-7(5)9-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine?
6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine has a molecular weight of 186.65 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-3-N-methylpyridazine-3,4-diamine is sourced from PubChem (CID 143667961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).