[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid

C9H12N6O6 — CID 68524798

IUPAC[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1nc(N(C)C(=O)O)nc(N(C)C(=O)O)n1
InChIInChI=1S/C9H12N6O6/c1-13(7(16)17)4-10-5(14(2)8(18)19)12-6(11-4)15(3)9(20)21/h1-3H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyLBNBHDPSRBPDMN-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.21
Rot. Bonds3

About [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid

[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid (PubChem CID 68524798) has the molecular formula C9H12N6O6 and a molecular weight of 300.23 g/mol. Its IUPAC name is [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid
PubChem CID68524798
Molecular FormulaC9H12N6O6
Molecular Weight300.23 g/mol
Exact Mass300.08
IUPAC Name[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1nc(N(C)C(=O)O)nc(N(C)C(=O)O)n1
InChIInChI=1S/C9H12N6O6/c1-13(7(16)17)4-10-5(14(2)8(18)19)12-6(11-4)15(3)9(20)21/h1-3H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyLBNBHDPSRBPDMN-UHFFFAOYSA-N
XLogP0.21
TPSA160.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid?
The IUPAC name of [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid (CID 68524798) is [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid.
What is the SMILES notation for [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid?
The canonical SMILES for [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid is CN(C(=O)O)c1nc(N(C)C(=O)O)nc(N(C)C(=O)O)n1.
What is the InChIKey of [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid?
The InChIKey is LBNBHDPSRBPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O6/c1-13(7(16)17)4-10-5(14(2)8(18)19)12-6(11-4)15(3)9(20)21/h1-3H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid?
[4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid has a molecular weight of 300.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid is sourced from PubChem (CID 68524798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).