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

C5H6N6O4 — CID 69332414

IUPAC[4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
SMILESNc1nc(NC(=O)O)nc(NC(=O)O)n1
InChIInChI=1S/C5H6N6O4/c6-1-7-2(10-4(12)13)9-3(8-1)11-5(14)15/h(H,12,13)(H,14,15)(H4,6,7,8,9,10,11)
InChIKeyIEVGEVAWFISRID-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.37
Rot. Bonds2

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

[4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid (PubChem CID 69332414) has the molecular formula C5H6N6O4 and a molecular weight of 214.14 g/mol. Its IUPAC name is [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
PubChem CID69332414
Molecular FormulaC5H6N6O4
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name[4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
SMILESNc1nc(NC(=O)O)nc(NC(=O)O)n1
InChIInChI=1S/C5H6N6O4/c6-1-7-2(10-4(12)13)9-3(8-1)11-5(14)15/h(H,12,13)(H,14,15)(H4,6,7,8,9,10,11)
InChIKeyIEVGEVAWFISRID-UHFFFAOYSA-N
XLogP-0.37
TPSA163.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The IUPAC name of [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid (CID 69332414) is [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid.
What is the SMILES notation for [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The canonical SMILES for [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid is Nc1nc(NC(=O)O)nc(NC(=O)O)n1.
What is the InChIKey of [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
The InChIKey is IEVGEVAWFISRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O4/c6-1-7-2(10-4(12)13)9-3(8-1)11-5(14)15/h(H,12,13)(H,14,15)(H4,6,7,8,9,10,11).
What are the key properties of [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid?
[4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid has a molecular weight of 214.14 g/mol, XLogP of -0.37, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid is sourced from PubChem (CID 69332414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).