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

C6H9N3O — CID 59325835

IUPAC4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESNc1noc2c1CCNC2
InChIInChI=1S/C6H9N3O/c7-6-4-1-2-8-3-5(4)10-9-6/h8H,1-3H2,(H2,7,9)
InChIKeyLFTJXSZKOJXNHL-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.10
Rot. Bonds

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

4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine (PubChem CID 59325835) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine
PubChem CID59325835
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESNc1noc2c1CCNC2
InChIInChI=1S/C6H9N3O/c7-6-4-1-2-8-3-5(4)10-9-6/h8H,1-3H2,(H2,7,9)
InChIKeyLFTJXSZKOJXNHL-UHFFFAOYSA-N
XLogP-0.10
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine (CID 59325835) is 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine is Nc1noc2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The InChIKey is LFTJXSZKOJXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6-4-1-2-8-3-5(4)10-9-6/h8H,1-3H2,(H2,7,9).
What are the key properties of 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine?
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine has a molecular weight of 139.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 59325835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).