2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine

C8H9N5O — CID 130791804

IUPAC2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCc2cocn2)cn1
InChIInChI=1S/C8H9N5O/c9-7-2-12-8(3-10-7)11-1-6-4-14-5-13-6/h2-5H,1H2,(H2,9,10)(H,11,12)
InChIKeyZYKJRSIDUVLFOI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.66
Rot. Bonds3

About 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine

2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine (PubChem CID 130791804) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
PubChem CID130791804
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCc2cocn2)cn1
InChIInChI=1S/C8H9N5O/c9-7-2-12-8(3-10-7)11-1-6-4-14-5-13-6/h2-5H,1H2,(H2,9,10)(H,11,12)
InChIKeyZYKJRSIDUVLFOI-UHFFFAOYSA-N
XLogP0.66
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine (CID 130791804) is 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine is Nc1cnc(NCc2cocn2)cn1.
What is the InChIKey of 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine?
The InChIKey is ZYKJRSIDUVLFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-7-2-12-8(3-10-7)11-1-6-4-14-5-13-6/h2-5H,1H2,(H2,9,10)(H,11,12).
What are the key properties of 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine?
2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine has a molecular weight of 191.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 130791804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).