3-imidazol-1-yloxan-4-amine

C8H13N3O — CID 43608851

IUPAC3-imidazol-1-yloxan-4-amine
SMILESNC1CCOCC1n1ccnc1
InChIInChI=1S/C8H13N3O/c9-7-1-4-12-5-8(7)11-3-2-10-6-11/h2-3,6-8H,1,4-5,9H2
InChIKeySDIOVRSWVOJLFX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.17
Rot. Bonds1

About 3-imidazol-1-yloxan-4-amine

3-imidazol-1-yloxan-4-amine (PubChem CID 43608851) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-imidazol-1-yloxan-4-amine.

Molecular Properties

Compound Name3-imidazol-1-yloxan-4-amine
PubChem CID43608851
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-imidazol-1-yloxan-4-amine
SMILESNC1CCOCC1n1ccnc1
InChIInChI=1S/C8H13N3O/c9-7-1-4-12-5-8(7)11-3-2-10-6-11/h2-3,6-8H,1,4-5,9H2
InChIKeySDIOVRSWVOJLFX-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yloxan-4-amine?
The IUPAC name of 3-imidazol-1-yloxan-4-amine (CID 43608851) is 3-imidazol-1-yloxan-4-amine.
What is the SMILES notation for 3-imidazol-1-yloxan-4-amine?
The canonical SMILES for 3-imidazol-1-yloxan-4-amine is NC1CCOCC1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yloxan-4-amine?
The InChIKey is SDIOVRSWVOJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-1-4-12-5-8(7)11-3-2-10-6-11/h2-3,6-8H,1,4-5,9H2.
What are the key properties of 3-imidazol-1-yloxan-4-amine?
3-imidazol-1-yloxan-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yloxan-4-amine is sourced from PubChem (CID 43608851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).