1-(1,3-oxazol-5-yl)triazol-4-amine

C5H5N5O — CID 96636076

IUPAC1-(1,3-oxazol-5-yl)triazol-4-amine
SMILESNc1cn(-c2cnco2)nn1
InChIInChI=1S/C5H5N5O/c6-4-2-10(9-8-4)5-1-7-3-11-5/h1-3H,6H2
InChIKeyMKIYETZTJGVDEV-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.16
Rot. Bonds1

About 1-(1,3-oxazol-5-yl)triazol-4-amine

1-(1,3-oxazol-5-yl)triazol-4-amine (PubChem CID 96636076) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name1-(1,3-oxazol-5-yl)triazol-4-amine
PubChem CID96636076
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name1-(1,3-oxazol-5-yl)triazol-4-amine
SMILESNc1cn(-c2cnco2)nn1
InChIInChI=1S/C5H5N5O/c6-4-2-10(9-8-4)5-1-7-3-11-5/h1-3H,6H2
InChIKeyMKIYETZTJGVDEV-UHFFFAOYSA-N
XLogP-0.16
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-yl)triazol-4-amine?
The IUPAC name of 1-(1,3-oxazol-5-yl)triazol-4-amine (CID 96636076) is 1-(1,3-oxazol-5-yl)triazol-4-amine.
What is the SMILES notation for 1-(1,3-oxazol-5-yl)triazol-4-amine?
The canonical SMILES for 1-(1,3-oxazol-5-yl)triazol-4-amine is Nc1cn(-c2cnco2)nn1.
What is the InChIKey of 1-(1,3-oxazol-5-yl)triazol-4-amine?
The InChIKey is MKIYETZTJGVDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-4-2-10(9-8-4)5-1-7-3-11-5/h1-3H,6H2.
What are the key properties of 1-(1,3-oxazol-5-yl)triazol-4-amine?
1-(1,3-oxazol-5-yl)triazol-4-amine has a molecular weight of 151.13 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-yl)triazol-4-amine is sourced from PubChem (CID 96636076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).