3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile

C6H4N6O — CID 10241308

IUPAC3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
SMILESN#Cc1nc2c(N)onc2nc1N
InChIInChI=1S/C6H4N6O/c7-1-2-4(8)11-6-3(10-2)5(9)13-12-6/h9H2,(H2,8,11,12)
InChIKeyCSQAYYLBFCVGOK-UHFFFAOYSA-N
MW176.14 g/mol
LogP-0.35
Rot. Bonds

About 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile

3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile (PubChem CID 10241308) has the molecular formula C6H4N6O and a molecular weight of 176.14 g/mol. Its IUPAC name is 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
PubChem CID10241308
Molecular FormulaC6H4N6O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
SMILESN#Cc1nc2c(N)onc2nc1N
InChIInChI=1S/C6H4N6O/c7-1-2-4(8)11-6-3(10-2)5(9)13-12-6/h9H2,(H2,8,11,12)
InChIKeyCSQAYYLBFCVGOK-UHFFFAOYSA-N
XLogP-0.35
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile?
The IUPAC name of 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile (CID 10241308) is 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile is N#Cc1nc2c(N)onc2nc1N.
What is the InChIKey of 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile?
The InChIKey is CSQAYYLBFCVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O/c7-1-2-4(8)11-6-3(10-2)5(9)13-12-6/h9H2,(H2,8,11,12).
What are the key properties of 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile?
3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile has a molecular weight of 176.14 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile is sourced from PubChem (CID 10241308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).