4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one

C7H7N5O2 — CID 57134425

IUPAC4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one
SMILESNc1ncn(Cc2cocn2)c(=O)n1
InChIInChI=1S/C7H7N5O2/c8-6-9-3-12(7(13)11-6)1-5-2-14-4-10-5/h2-4H,1H2,(H2,8,11,13)
InChIKeyNZVSZOZSTSTARI-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.74
Rot. Bonds2

About 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one

4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one (PubChem CID 57134425) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one
PubChem CID57134425
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one
SMILESNc1ncn(Cc2cocn2)c(=O)n1
InChIInChI=1S/C7H7N5O2/c8-6-9-3-12(7(13)11-6)1-5-2-14-4-10-5/h2-4H,1H2,(H2,8,11,13)
InChIKeyNZVSZOZSTSTARI-UHFFFAOYSA-N
XLogP-0.74
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one (CID 57134425) is 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one is Nc1ncn(Cc2cocn2)c(=O)n1.
What is the InChIKey of 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one?
The InChIKey is NZVSZOZSTSTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-6-9-3-12(7(13)11-6)1-5-2-14-4-10-5/h2-4H,1H2,(H2,8,11,13).
What are the key properties of 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one?
4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one has a molecular weight of 193.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-oxazol-4-ylmethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 57134425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).