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

C8H9N5O2 — CID 57106917

IUPAC4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one
SMILESCNc1ncn(Cc2cnco2)c(=O)n1
InChIInChI=1S/C8H9N5O2/c1-9-7-11-4-13(8(14)12-7)3-6-2-10-5-15-6/h2,4-5H,3H2,1H3,(H,9,12,14)
InChIKeyQZDNEKQHPGNJKM-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.28
Rot. Bonds3

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

4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one (PubChem CID 57106917) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one
PubChem CID57106917
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one
SMILESCNc1ncn(Cc2cnco2)c(=O)n1
InChIInChI=1S/C8H9N5O2/c1-9-7-11-4-13(8(14)12-7)3-6-2-10-5-15-6/h2,4-5H,3H2,1H3,(H,9,12,14)
InChIKeyQZDNEKQHPGNJKM-UHFFFAOYSA-N
XLogP-0.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one (CID 57106917) is 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one is CNc1ncn(Cc2cnco2)c(=O)n1.
What is the InChIKey of 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one?
The InChIKey is QZDNEKQHPGNJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-9-7-11-4-13(8(14)12-7)3-6-2-10-5-15-6/h2,4-5H,3H2,1H3,(H,9,12,14).
What are the key properties of 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one?
4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one has a molecular weight of 207.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 57106917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).