1,3,5-triazin-2-yl N-ethylcarbamate

C6H8N4O2 — CID 174534413

IUPAC1,3,5-triazin-2-yl N-ethylcarbamate
SMILESCCNC(=O)Oc1ncncn1
InChIInChI=1S/C6H8N4O2/c1-2-8-6(11)12-5-9-3-7-4-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyNQIZNKUGWNJJML-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.02
Rot. Bonds2

About 1,3,5-triazin-2-yl N-ethylcarbamate

1,3,5-triazin-2-yl N-ethylcarbamate (PubChem CID 174534413) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl N-ethylcarbamate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl N-ethylcarbamate
PubChem CID174534413
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1,3,5-triazin-2-yl N-ethylcarbamate
SMILESCCNC(=O)Oc1ncncn1
InChIInChI=1S/C6H8N4O2/c1-2-8-6(11)12-5-9-3-7-4-10-5/h3-4H,2H2,1H3,(H,8,11)
InChIKeyNQIZNKUGWNJJML-UHFFFAOYSA-N
XLogP-0.02
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl N-ethylcarbamate?
The IUPAC name of 1,3,5-triazin-2-yl N-ethylcarbamate (CID 174534413) is 1,3,5-triazin-2-yl N-ethylcarbamate.
What is the SMILES notation for 1,3,5-triazin-2-yl N-ethylcarbamate?
The canonical SMILES for 1,3,5-triazin-2-yl N-ethylcarbamate is CCNC(=O)Oc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl N-ethylcarbamate?
The InChIKey is NQIZNKUGWNJJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-2-8-6(11)12-5-9-3-7-4-10-5/h3-4H,2H2,1H3,(H,8,11).
What are the key properties of 1,3,5-triazin-2-yl N-ethylcarbamate?
1,3,5-triazin-2-yl N-ethylcarbamate has a molecular weight of 168.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl N-ethylcarbamate is sourced from PubChem (CID 174534413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).