(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine

C12H20N4 — CID 134502807

IUPAC(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
SMILESCCN/C(C)=C(\N)c1c(C)nnc(C)c1C
InChIInChI=1S/C12H20N4/c1-6-14-10(5)12(13)11-7(2)8(3)15-16-9(11)4/h14H,6,13H2,1-5H3/b12-10-
InChIKeyJJNBOJUOPMPEBU-BENRWUELSA-N
MW220.32 g/mol
LogP1.66
Rot. Bonds3

About (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine

(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine (PubChem CID 134502807) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
PubChem CID134502807
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
SMILESCCN/C(C)=C(\N)c1c(C)nnc(C)c1C
InChIInChI=1S/C12H20N4/c1-6-14-10(5)12(13)11-7(2)8(3)15-16-9(11)4/h14H,6,13H2,1-5H3/b12-10-
InChIKeyJJNBOJUOPMPEBU-BENRWUELSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tetramethylpyridazine
CID 12750033
3,4,5-Tritert-butyl-6-piperidin-4-ylpyridazine
CID 21040094
3,6-Dimethyl-4,5-dipropylpyridazine
CID 58250541
4,5-Ditert-butyl-3,6-dimethylpyridazine
CID 59102421
CID 59265103
CID 59265103
3,4,5,6-Tetraethylpyridazine
CID 67848673
1,4-dimethyl-7-[(3R)-3-methylpiperazin-1-yl]-5,6-dihydrophthalazine
CID 70277509
1,4-ditert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 71066706
1,4-Ditert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazine
CID 71066739
3,4,5-Triethyl-6-piperidin-4-ylpyridazine
CID 71213339
4-Ethyl-3,5,6-trimethylpyridazine
CID 86158353
3,4,6-Trimethyl-5-propylpyridazine
CID 90932914

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine (CID 134502807) is (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine is CCN/C(C)=C(\N)c1c(C)nnc(C)c1C.
What is the InChIKey of (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine?
The InChIKey is JJNBOJUOPMPEBU-BENRWUELSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-14-10(5)12(13)11-7(2)8(3)15-16-9(11)4/h14H,6,13H2,1-5H3/b12-10-.
What are the key properties of (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine?
(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 134502807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).