[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid

C6H6N6O6 — CID 21202880

IUPAC[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(NC(=O)O)nc(NC(=O)O)n1
InChIInChI=1S/C6H6N6O6/c13-4(14)10-1-7-2(11-5(15)16)9-3(8-1)12-6(17)18/h(H,13,14)(H,15,16)(H,17,18)(H3,7,8,9,10,11,12)
InChIKeyCSKUCFXSPGYOBP-UHFFFAOYSA-N
MW258.15 g/mol
LogP0.14
Rot. Bonds3

About [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid

[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid (PubChem CID 21202880) has the molecular formula C6H6N6O6 and a molecular weight of 258.15 g/mol. Its IUPAC name is [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
PubChem CID21202880
Molecular FormulaC6H6N6O6
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(NC(=O)O)nc(NC(=O)O)n1
InChIInChI=1S/C6H6N6O6/c13-4(14)10-1-7-2(11-5(15)16)9-3(8-1)12-6(17)18/h(H,13,14)(H,15,16)(H,17,18)(H3,7,8,9,10,11,12)
InChIKeyCSKUCFXSPGYOBP-UHFFFAOYSA-N
XLogP0.14
TPSA186.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.15
LogP ≤ 50.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The IUPAC name of [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid (CID 21202880) is [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid.
What is the SMILES notation for [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The canonical SMILES for [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid is O=C(O)Nc1nc(NC(=O)O)nc(NC(=O)O)n1.
What is the InChIKey of [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The InChIKey is CSKUCFXSPGYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O6/c13-4(14)10-1-7-2(11-5(15)16)9-3(8-1)12-6(17)18/h(H,13,14)(H,15,16)(H,17,18)(H3,7,8,9,10,11,12).
What are the key properties of [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
[4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid has a molecular weight of 258.15 g/mol, XLogP of 0.14, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid is sourced from PubChem (CID 21202880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).