1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine

C13H16N4 — CID 83962412

IUPAC1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C13H16N4/c1-2-15-11-3-5-12(6-4-11)17-10-13-9-14-7-8-16-13/h3-9,15,17H,2,10H2,1H3
InChIKeyKPYDCJPNHOZKSQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.52
Rot. Bonds5

About 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine

1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine (PubChem CID 83962412) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
PubChem CID83962412
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C13H16N4/c1-2-15-11-3-5-12(6-4-11)17-10-13-9-14-7-8-16-13/h3-9,15,17H,2,10H2,1H3
InChIKeyKPYDCJPNHOZKSQ-UHFFFAOYSA-N
XLogP2.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine (CID 83962412) is 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine is CCNc1ccc(NCc2cnccn2)cc1.
What is the InChIKey of 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is KPYDCJPNHOZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-15-11-3-5-12(6-4-11)17-10-13-9-14-7-8-16-13/h3-9,15,17H,2,10H2,1H3.
What are the key properties of 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine?
1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 83962412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).