3-(oxan-4-yl)imidazol-4-amine

C8H13N3O — CID 84731694

IUPAC3-(oxan-4-yl)imidazol-4-amine
SMILESNc1cncn1C1CCOCC1
InChIInChI=1S/C8H13N3O/c9-8-5-10-6-11(8)7-1-3-12-4-2-7/h5-7H,1-4,9H2
InChIKeySGXHJWIQZDMUQV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds1

About 3-(oxan-4-yl)imidazol-4-amine

3-(oxan-4-yl)imidazol-4-amine (PubChem CID 84731694) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(oxan-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-(oxan-4-yl)imidazol-4-amine
PubChem CID84731694
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(oxan-4-yl)imidazol-4-amine
SMILESNc1cncn1C1CCOCC1
InChIInChI=1S/C8H13N3O/c9-8-5-10-6-11(8)7-1-3-12-4-2-7/h5-7H,1-4,9H2
InChIKeySGXHJWIQZDMUQV-UHFFFAOYSA-N
XLogP0.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)imidazol-4-amine?
The IUPAC name of 3-(oxan-4-yl)imidazol-4-amine (CID 84731694) is 3-(oxan-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-(oxan-4-yl)imidazol-4-amine?
The canonical SMILES for 3-(oxan-4-yl)imidazol-4-amine is Nc1cncn1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)imidazol-4-amine?
The InChIKey is SGXHJWIQZDMUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-5-10-6-11(8)7-1-3-12-4-2-7/h5-7H,1-4,9H2.
What are the key properties of 3-(oxan-4-yl)imidazol-4-amine?
3-(oxan-4-yl)imidazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)imidazol-4-amine is sourced from PubChem (CID 84731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).