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

C7H11N3O — CID 83862511

IUPACN-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine
SMILESCNc1onc2c1CCNC2
InChIInChI=1S/C7H11N3O/c1-8-7-5-2-3-9-4-6(5)10-11-7/h8-9H,2-4H2,1H3
InChIKeyAOMRTRDKCCPTRA-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.36
Rot. Bonds1

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

N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine (PubChem CID 83862511) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine
PubChem CID83862511
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine
SMILESCNc1onc2c1CCNC2
InChIInChI=1S/C7H11N3O/c1-8-7-5-2-3-9-4-6(5)10-11-7/h8-9H,2-4H2,1H3
InChIKeyAOMRTRDKCCPTRA-UHFFFAOYSA-N
XLogP0.36
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine?
The IUPAC name of N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine (CID 83862511) is N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine is CNc1onc2c1CCNC2.
What is the InChIKey of N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine?
The InChIKey is AOMRTRDKCCPTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-7-5-2-3-9-4-6(5)10-11-7/h8-9H,2-4H2,1H3.
What are the key properties of N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine?
N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 83862511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).