ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine

C9H13N3O — CID 142292500

IUPACethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine
SMILESCC.Cc1nc2cnc(N)cc2o1
InChIInChI=1S/C7H7N3O.C2H6/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2/h2-3H,1H3,(H2,8,9);1-2H3
InChIKeyJBTWXWWFGNLUEL-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.14
Rot. Bonds

About ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine

ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine (PubChem CID 142292500) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Nameethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine
PubChem CID142292500
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Nameethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine
SMILESCC.Cc1nc2cnc(N)cc2o1
InChIInChI=1S/C7H7N3O.C2H6/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2/h2-3H,1H3,(H2,8,9);1-2H3
InChIKeyJBTWXWWFGNLUEL-UHFFFAOYSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine?
The IUPAC name of ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine (CID 142292500) is ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine.
What is the SMILES notation for ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine?
The canonical SMILES for ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine is CC.Cc1nc2cnc(N)cc2o1.
What is the InChIKey of ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine?
The InChIKey is JBTWXWWFGNLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.C2H6/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2/h2-3H,1H3,(H2,8,9);1-2H3.
What are the key properties of ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine?
ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine has a molecular weight of 179.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-[1,3]oxazolo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 142292500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).