2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine

C7H8N3O+ — CID 146844121

IUPAC2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine
SMILESCc1oc2cccnc2[n+]1N
InChIInChI=1S/C7H8N3O/c1-5-10(8)7-6(11-5)3-2-4-9-7/h2-4H,8H2,1H3/q+1
InChIKeyHLPBDZVBPRZFNX-UHFFFAOYSA-N
MW150.16 g/mol
LogP0.14
Rot. Bonds

About 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine

2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine (PubChem CID 146844121) has the molecular formula C7H8N3O+ and a molecular weight of 150.16 g/mol. Its IUPAC name is 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine.

Molecular Properties

Compound Name2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine
PubChem CID146844121
Molecular FormulaC7H8N3O+
Molecular Weight150.16 g/mol
Exact Mass150.07
IUPAC Name2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine
SMILESCc1oc2cccnc2[n+]1N
InChIInChI=1S/C7H8N3O/c1-5-10(8)7-6(11-5)3-2-4-9-7/h2-4H,8H2,1H3/q+1
InChIKeyHLPBDZVBPRZFNX-UHFFFAOYSA-N
XLogP0.14
TPSA55.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.14
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 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine?
The IUPAC name of 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine (CID 146844121) is 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine.
What is the SMILES notation for 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine?
The canonical SMILES for 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine is Cc1oc2cccnc2[n+]1N.
What is the InChIKey of 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine?
The InChIKey is HLPBDZVBPRZFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3O/c1-5-10(8)7-6(11-5)3-2-4-9-7/h2-4H,8H2,1H3/q+1.
What are the key properties of 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine?
2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine has a molecular weight of 150.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine is sourced from PubChem (CID 146844121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).