3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole

C9H10N6O — CID 159696966

IUPAC3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole
SMILESCc1nn[nH]n1.Cc1noc2ncccc12
InChIInChI=1S/C7H6N2O.C2H4N4/c1-5-6-3-2-4-8-7(6)10-9-5;1-2-3-5-6-4-2/h2-4H,1H3;1H3,(H,3,4,5,6)
InChIKeyMXDBRCMECDZLTI-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.04
Rot. Bonds

About 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole

3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole (PubChem CID 159696966) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole.

Molecular Properties

Compound Name3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole
PubChem CID159696966
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole
SMILESCc1nn[nH]n1.Cc1noc2ncccc12
InChIInChI=1S/C7H6N2O.C2H4N4/c1-5-6-3-2-4-8-7(6)10-9-5;1-2-3-5-6-4-2/h2-4H,1H3;1H3,(H,3,4,5,6)
InChIKeyMXDBRCMECDZLTI-UHFFFAOYSA-N
XLogP1.04
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole?
The IUPAC name of 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole (CID 159696966) is 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole.
What is the SMILES notation for 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole?
The canonical SMILES for 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole is Cc1nn[nH]n1.Cc1noc2ncccc12.
What is the InChIKey of 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole?
The InChIKey is MXDBRCMECDZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C2H4N4/c1-5-6-3-2-4-8-7(6)10-9-5;1-2-3-5-6-4-2/h2-4H,1H3;1H3,(H,3,4,5,6).
What are the key properties of 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole?
3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole has a molecular weight of 218.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole is sourced from PubChem (CID 159696966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).