6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine

C8H10N3O+ — CID 123380462

IUPAC6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine
SMILESCc1c2onc(N)c2cc[n+]1C
InChIInChI=1S/C8H10N3O/c1-5-7-6(3-4-11(5)2)8(9)10-12-7/h3-4H,1-2H3,(H2,9,10)/q+1
InChIKeyGOWHSAGZLAVJBV-UHFFFAOYSA-N
MW164.19 g/mol
LogP0.54
Rot. Bonds

About 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine

6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine (PubChem CID 123380462) has the molecular formula C8H10N3O+ and a molecular weight of 164.19 g/mol. Its IUPAC name is 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine.

Molecular Properties

Compound Name6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine
PubChem CID123380462
Molecular FormulaC8H10N3O+
Molecular Weight164.19 g/mol
Exact Mass164.08
IUPAC Name6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine
SMILESCc1c2onc(N)c2cc[n+]1C
InChIInChI=1S/C8H10N3O/c1-5-7-6(3-4-11(5)2)8(9)10-12-7/h3-4H,1-2H3,(H2,9,10)/q+1
InChIKeyGOWHSAGZLAVJBV-UHFFFAOYSA-N
XLogP0.54
TPSA55.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine?
The IUPAC name of 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine (CID 123380462) is 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine.
What is the SMILES notation for 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine?
The canonical SMILES for 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine is Cc1c2onc(N)c2cc[n+]1C.
What is the InChIKey of 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine?
The InChIKey is GOWHSAGZLAVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O/c1-5-7-6(3-4-11(5)2)8(9)10-12-7/h3-4H,1-2H3,(H2,9,10)/q+1.
What are the key properties of 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine?
6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine has a molecular weight of 164.19 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-[1,2]oxazolo[5,4-c]pyridin-6-ium-3-amine is sourced from PubChem (CID 123380462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).