1-(oxetan-3-yl)pyrazol-4-amine

C6H9N3O — CID 67458207

IUPAC1-(oxetan-3-yl)pyrazol-4-amine
SMILESNc1cnn(C2COC2)c1
InChIInChI=1S/C6H9N3O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4,7H2
InChIKeyRKORKXLEGJOTTK-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.04
Rot. Bonds1

About 1-(oxetan-3-yl)pyrazol-4-amine

1-(oxetan-3-yl)pyrazol-4-amine (PubChem CID 67458207) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(oxetan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxetan-3-yl)pyrazol-4-amine
PubChem CID67458207
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(oxetan-3-yl)pyrazol-4-amine
SMILESNc1cnn(C2COC2)c1
InChIInChI=1S/C6H9N3O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4,7H2
InChIKeyRKORKXLEGJOTTK-UHFFFAOYSA-N
XLogP0.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(oxetan-3-yl)pyrazol-4-amine (CID 67458207) is 1-(oxetan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxetan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(oxetan-3-yl)pyrazol-4-amine is Nc1cnn(C2COC2)c1.
What is the InChIKey of 1-(oxetan-3-yl)pyrazol-4-amine?
The InChIKey is RKORKXLEGJOTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4,7H2.
What are the key properties of 1-(oxetan-3-yl)pyrazol-4-amine?
1-(oxetan-3-yl)pyrazol-4-amine has a molecular weight of 139.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 67458207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).