(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate

C5H7N5O3 — CID 89183104

IUPAC(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nc(N)[nH]c(=O)n1
InChIInChI=1S/C5H7N5O3/c1-7-5(12)13-4-9-2(6)8-3(11)10-4/h1H3,(H,7,12)(H3,6,8,9,10,11)
InChIKeyRDSFUJHPWICDAE-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.53
Rot. Bonds1

About (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate

(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate (PubChem CID 89183104) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate
PubChem CID89183104
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate
SMILESCNC(=O)Oc1nc(N)[nH]c(=O)n1
InChIInChI=1S/C5H7N5O3/c1-7-5(12)13-4-9-2(6)8-3(11)10-4/h1H3,(H,7,12)(H3,6,8,9,10,11)
InChIKeyRDSFUJHPWICDAE-UHFFFAOYSA-N
XLogP-1.53
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate?
The IUPAC name of (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate (CID 89183104) is (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate.
What is the SMILES notation for (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate?
The canonical SMILES for (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate is CNC(=O)Oc1nc(N)[nH]c(=O)n1.
What is the InChIKey of (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate?
The InChIKey is RDSFUJHPWICDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c1-7-5(12)13-4-9-2(6)8-3(11)10-4/h1H3,(H,7,12)(H3,6,8,9,10,11).
What are the key properties of (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate?
(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate has a molecular weight of 185.14 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate is sourced from PubChem (CID 89183104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).