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

C8H13N3O — CID 66520755

IUPAC1-(oxan-4-yl)imidazol-4-amine
SMILESNc1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H13N3O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4,9H2
InChIKeyHYGYTQMGUFXQHT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds1

About 1-(oxan-4-yl)imidazol-4-amine

1-(oxan-4-yl)imidazol-4-amine (PubChem CID 66520755) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)imidazol-4-amine
PubChem CID66520755
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxan-4-yl)imidazol-4-amine
SMILESNc1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H13N3O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4,9H2
InChIKeyHYGYTQMGUFXQHT-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 1-(oxan-4-yl)imidazol-4-amine?
The IUPAC name of 1-(oxan-4-yl)imidazol-4-amine (CID 66520755) is 1-(oxan-4-yl)imidazol-4-amine.
What is the SMILES notation for 1-(oxan-4-yl)imidazol-4-amine?
The canonical SMILES for 1-(oxan-4-yl)imidazol-4-amine is Nc1cn(C2CCOCC2)cn1.
What is the InChIKey of 1-(oxan-4-yl)imidazol-4-amine?
The InChIKey is HYGYTQMGUFXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4,9H2.
What are the key properties of 1-(oxan-4-yl)imidazol-4-amine?
1-(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 1-(oxan-4-yl)imidazol-4-amine is sourced from PubChem (CID 66520755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).