3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one

C6H6N4O2 — CID 123568857

IUPAC3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESNc1cnc2c(c1)oc(=O)n2N
InChIInChI=1S/C6H6N4O2/c7-3-1-4-5(9-2-3)10(8)6(11)12-4/h1-2H,7-8H2
InChIKeyCXZQIWBPEHYOTL-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.71
Rot. Bonds

About 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one

3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 123568857) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID123568857
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESNc1cnc2c(c1)oc(=O)n2N
InChIInChI=1S/C6H6N4O2/c7-3-1-4-5(9-2-3)10(8)6(11)12-4/h1-2H,7-8H2
InChIKeyCXZQIWBPEHYOTL-UHFFFAOYSA-N
XLogP-0.71
TPSA100.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15778595
[1,2]oxazolo[4,5-b]pyridin-6-amine
CID 162788998
3-amino-1,3-benzoxazol-2-one
CID 11412466
6-(2-bromoacetyl)-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 19079305
2-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 154467408
1-phosphanylpyrazolo[3,4-b]pyridin-5-amine
CID 70215568
3,6-diaminoxanthen-9-one
CID 12508641
3-methyltriazolo[4,5-b]pyridin-6-amine
CID 84649283
1-phosphanylpyrrolo[2,3-b]pyridin-5-amine
CID 59593318
6-amino-1,3-benzoxazin-2-one
CID 57419146
6-bromo-3-(2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15379435

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 123568857) is 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one is Nc1cnc2c(c1)oc(=O)n2N.
What is the InChIKey of 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is CXZQIWBPEHYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c7-3-1-4-5(9-2-3)10(8)6(11)12-4/h1-2H,7-8H2.
What are the key properties of 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one?
3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 166.14 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123568857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).