3-N-(2-methylbutyl)pyrazine-2,3-diamine

C9H16N4 — CID 102984244

IUPAC3-N-(2-methylbutyl)pyrazine-2,3-diamine
SMILESCCC(C)CNc1nccnc1N
InChIInChI=1S/C9H16N4/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyFBYNGBFGFRJMHL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds4

About 3-N-(2-methylbutyl)pyrazine-2,3-diamine

3-N-(2-methylbutyl)pyrazine-2,3-diamine (PubChem CID 102984244) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-N-(2-methylbutyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylbutyl)pyrazine-2,3-diamine
PubChem CID102984244
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-N-(2-methylbutyl)pyrazine-2,3-diamine
SMILESCCC(C)CNc1nccnc1N
InChIInChI=1S/C9H16N4/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyFBYNGBFGFRJMHL-UHFFFAOYSA-N
XLogP1.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylbutyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(2-methylbutyl)pyrazine-2,3-diamine (CID 102984244) is 3-N-(2-methylbutyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(2-methylbutyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(2-methylbutyl)pyrazine-2,3-diamine is CCC(C)CNc1nccnc1N.
What is the InChIKey of 3-N-(2-methylbutyl)pyrazine-2,3-diamine?
The InChIKey is FBYNGBFGFRJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 3-N-(2-methylbutyl)pyrazine-2,3-diamine?
3-N-(2-methylbutyl)pyrazine-2,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylbutyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102984244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).