2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid

C9H13N5O3 — CID 114785876

IUPAC2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid
SMILESCc1nnc(NCC(=O)NCC(=O)O)nc1C
InChIInChI=1S/C9H13N5O3/c1-5-6(2)13-14-9(12-5)11-3-7(15)10-4-8(16)17/h3-4H2,1-2H3,(H,10,15)(H,16,17)(H,11,12,14)
InChIKeyCTMLDWHFSLQLCU-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.90
Rot. Bonds5

About 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid

2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid (PubChem CID 114785876) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid
PubChem CID114785876
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid
SMILESCc1nnc(NCC(=O)NCC(=O)O)nc1C
InChIInChI=1S/C9H13N5O3/c1-5-6(2)13-14-9(12-5)11-3-7(15)10-4-8(16)17/h3-4H2,1-2H3,(H,10,15)(H,16,17)(H,11,12,14)
InChIKeyCTMLDWHFSLQLCU-UHFFFAOYSA-N
XLogP-0.90
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 114448156
methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate
CID 114786539
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 114786134
2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114387513
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114386986
2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetyl]amino]acetic acid
CID 65209699
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide
CID 104918906
2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 114786050
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]but-2-yn-1-ol
CID 130657687
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114387565

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid (CID 114785876) is 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid is Cc1nnc(NCC(=O)NCC(=O)O)nc1C.
What is the InChIKey of 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid?
The InChIKey is CTMLDWHFSLQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-5-6(2)13-14-9(12-5)11-3-7(15)10-4-8(16)17/h3-4H2,1-2H3,(H,10,15)(H,16,17)(H,11,12,14).
What are the key properties of 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 114785876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).