4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C12H19ClN4 — CID 79110952

IUPAC4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H19ClN4/c1-14-9-3-5-10(6-4-9)17(2)12-8-7-11(13)15-16-12/h7-10,14H,3-6H2,1-2H3
InChIKeyFCAYRXSLENRZPZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.10
Rot. Bonds3

About 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79110952) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79110952
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H19ClN4/c1-14-9-3-5-10(6-4-9)17(2)12-8-7-11(13)15-16-12/h7-10,14H,3-6H2,1-2H3
InChIKeyFCAYRXSLENRZPZ-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79110952) is 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)c2ccc(Cl)nn2)CC1.
What is the InChIKey of 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is FCAYRXSLENRZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-14-9-3-5-10(6-4-9)17(2)12-8-7-11(13)15-16-12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloropyridazin-3-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).