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

C5H9N5O3 — CID 131970294

IUPACmethyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)NC1N=C(N)NC(=O)N1
InChIInChI=1S/C5H9N5O3/c1-13-5(12)10-3-7-2(6)8-4(11)9-3/h3H,1H3,(H,10,12)(H4,6,7,8,9,11)
InChIKeyYZCFBGZHLLDZLA-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.75
Rot. Bonds1

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

methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate (PubChem CID 131970294) has the molecular formula C5H9N5O3 and a molecular weight of 187.16 g/mol. Its IUPAC name is methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate
PubChem CID131970294
Molecular FormulaC5H9N5O3
Molecular Weight187.16 g/mol
Exact Mass187.07
IUPAC Namemethyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)NC1N=C(N)NC(=O)N1
InChIInChI=1S/C5H9N5O3/c1-13-5(12)10-3-7-2(6)8-4(11)9-3/h3H,1H3,(H,10,12)(H4,6,7,8,9,11)
InChIKeyYZCFBGZHLLDZLA-UHFFFAOYSA-N
XLogP-1.75
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate (CID 131970294) is methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate is COC(=O)NC1N=C(N)NC(=O)N1.
What is the InChIKey of methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate?
The InChIKey is YZCFBGZHLLDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O3/c1-13-5(12)10-3-7-2(6)8-4(11)9-3/h3H,1H3,(H,10,12)(H4,6,7,8,9,11).
What are the key properties of methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate?
methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate has a molecular weight of 187.16 g/mol, XLogP of -1.75, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 131970294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).