(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid

C4H4N4O5 — CID 174776764

IUPAC(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid
SMILESO=C(O)Nn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H4N4O5/c9-1-5-2(10)8(3(11)6-1)7-4(12)13/h7H,(H,12,13)(H2,5,6,9,10,11)
InChIKeyZZXNKOPAXGQLEV-UHFFFAOYSA-N
MW188.10 g/mol
LogP-2.55
Rot. Bonds1

About (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid

(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid (PubChem CID 174776764) has the molecular formula C4H4N4O5 and a molecular weight of 188.10 g/mol. Its IUPAC name is (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid.

Molecular Properties

Compound Name(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid
PubChem CID174776764
Molecular FormulaC4H4N4O5
Molecular Weight188.10 g/mol
Exact Mass188.02
IUPAC Name(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid
SMILESO=C(O)Nn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H4N4O5/c9-1-5-2(10)8(3(11)6-1)7-4(12)13/h7H,(H,12,13)(H2,5,6,9,10,11)
InChIKeyZZXNKOPAXGQLEV-UHFFFAOYSA-N
XLogP-2.55
TPSA137.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid?
The IUPAC name of (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid (CID 174776764) is (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid.
What is the SMILES notation for (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid?
The canonical SMILES for (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid is O=C(O)Nn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid?
The InChIKey is ZZXNKOPAXGQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O5/c9-1-5-2(10)8(3(11)6-1)7-4(12)13/h7H,(H,12,13)(H2,5,6,9,10,11).
What are the key properties of (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid?
(2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid has a molecular weight of 188.10 g/mol, XLogP of -2.55, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trioxo-1,3,5-triazinan-1-yl)carbamic acid is sourced from PubChem (CID 174776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).