2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid

C6H7N5O3 — CID 114388624

IUPAC2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1nccnn1
InChIInChI=1S/C6H7N5O3/c12-4(13)3-8-6(14)10-5-7-1-2-9-11-5/h1-2H,3H2,(H,12,13)(H2,7,8,10,11,14)
InChIKeyBKPHFRWCUNVVFI-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.92
Rot. Bonds3

About 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid

2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid (PubChem CID 114388624) has the molecular formula C6H7N5O3 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid
PubChem CID114388624
Molecular FormulaC6H7N5O3
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC Name2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)Nc1nccnn1
InChIInChI=1S/C6H7N5O3/c12-4(13)3-8-6(14)10-5-7-1-2-9-11-5/h1-2H,3H2,(H,12,13)(H2,7,8,10,11,14)
InChIKeyBKPHFRWCUNVVFI-UHFFFAOYSA-N
XLogP-0.92
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-3-methyl-4-(1,2,4-triazin-3-ylcarbamoylamino)butanoic acid
CID 114388661
1-[(1,2,4-triazin-3-ylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114388760
3-[(1,2,4-triazin-3-ylcarbamoylamino)methyl]benzoic acid
CID 114388727
3-[4-(1,2,4-triazin-3-ylcarbamoylamino)phenyl]propanoic acid
CID 114388822
2-(ethylamino)-N-(1,2,4-triazin-3-yl)acetamide
CID 114387856
5-amino-5-oxo-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388732
3-methyl-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388772
3,5-dichloro-4-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388674
2-[N-(1,2,4-triazin-3-ylcarbamoyl)anilino]acetic acid
CID 114388682
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
CID 114387858
3-bromo-5-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388650
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid (CID 114388624) is 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid is O=C(O)CNC(=O)Nc1nccnn1.
What is the InChIKey of 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid?
The InChIKey is BKPHFRWCUNVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3/c12-4(13)3-8-6(14)10-5-7-1-2-9-11-5/h1-2H,3H2,(H,12,13)(H2,7,8,10,11,14).
What are the key properties of 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid?
2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid has a molecular weight of 197.15 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 114388624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).