N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

C13H23ClN4 — CID 63271778

IUPACN'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H23ClN4/c1-6-7-18(9-8-17(4)5)13-11(3)10(2)12(14)15-16-13/h6-9H2,1-5H3
InChIKeyHTSLKPCTKNTCHR-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.52
Rot. Bonds6

About N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 63271778) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID63271778
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H23ClN4/c1-6-7-18(9-8-17(4)5)13-11(3)10(2)12(14)15-16-13/h6-9H2,1-5H3
InChIKeyHTSLKPCTKNTCHR-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 63271778) is N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1nnc(Cl)c(C)c1C.
What is the InChIKey of N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is HTSLKPCTKNTCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-6-7-18(9-8-17(4)5)13-11(3)10(2)12(14)15-16-13/h6-9H2,1-5H3.
What are the key properties of N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 270.81 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 63271778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).