2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

C6H11N7O3 — CID 19091154

IUPAC2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNCC(=O)O.Nc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O.C2H5NO2/c5-2-8-3(6)10-4(9-2)7-1-11;3-1-2(4)5/h1H,(H5,5,6,7,8,9,10,11);1,3H2,(H,4,5)
InChIKeyGJBZFIKZASTEJS-UHFFFAOYSA-N
MW229.20 g/mol
LogP-2.37
Rot. Bonds3

About 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (PubChem CID 19091154) has the molecular formula C6H11N7O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound Name2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide
PubChem CID19091154
Molecular FormulaC6H11N7O3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNCC(=O)O.Nc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O.C2H5NO2/c5-2-8-3(6)10-4(9-2)7-1-11;3-1-2(4)5/h1H,(H5,5,6,7,8,9,10,11);1,3H2,(H,4,5)
InChIKeyGJBZFIKZASTEJS-UHFFFAOYSA-N
XLogP-2.37
TPSA183.13 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Aminoacetic acid;1,3,5-triazine-2,4,6-triamine
CID 19091153
2-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]acetic acid
CID 53847074
2-[[4-Amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 67194114
2-Aminoacetic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 159586482
2-Aminoacetic acid;1,3,5-triazine
CID 159767782

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The IUPAC name of 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (CID 19091154) is 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is NCC(=O)O.Nc1nc(N)nc(NC=O)n1.
What is the InChIKey of 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The InChIKey is GJBZFIKZASTEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O.C2H5NO2/c5-2-8-3(6)10-4(9-2)7-1-11;3-1-2(4)5/h1H,(H5,5,6,7,8,9,10,11);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide has a molecular weight of 229.20 g/mol, XLogP of -2.37, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 19091154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).