3-N-ethyl-3-N-phenylpyrazine-2,3-diamine

C12H14N4 — CID 102985234

IUPAC3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
SMILESCCN(c1ccccc1)c1nccnc1N
InChIInChI=1S/C12H14N4/c1-2-16(10-6-4-3-5-7-10)12-11(13)14-8-9-15-12/h3-9H,2H2,1H3,(H2,13,14)
InChIKeyJJDXTSBCVMABPS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.22
Rot. Bonds3

About 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine

3-N-ethyl-3-N-phenylpyrazine-2,3-diamine (PubChem CID 102985234) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
PubChem CID102985234
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
SMILESCCN(c1ccccc1)c1nccnc1N
InChIInChI=1S/C12H14N4/c1-2-16(10-6-4-3-5-7-10)12-11(13)14-8-9-15-12/h3-9H,2H2,1H3,(H2,13,14)
InChIKeyJJDXTSBCVMABPS-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751
3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
CID 102985244
3-(N-ethylanilino)pyrazine-2-carboxylic acid
CID 62710006
3-(1-aminoethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 114055773
4-N-ethyl-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 80756179
3-methyl-N,N-diphenylpyrazin-2-amine
CID 523062
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940
N-ethyl-3-(ethylaminomethyl)-N-phenylpyridin-2-amine
CID 62279792
2-N-ethyl-2-N-phenyl-1,3,4-oxadiazole-2,5-diamine
CID 103436569
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine (CID 102985234) is 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine is CCN(c1ccccc1)c1nccnc1N.
What is the InChIKey of 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine?
The InChIKey is JJDXTSBCVMABPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-16(10-6-4-3-5-7-10)12-11(13)14-8-9-15-12/h3-9H,2H2,1H3,(H2,13,14).
What are the key properties of 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine?
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 102985234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).