3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid

C5H6N4O2 — CID 22099275

IUPAC3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid
SMILESNCc1nncc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c6-1-4-8-3(5(10)11)2-7-9-4/h2H,1,6H2,(H,10,11)
InChIKeyYVNFMLSTRPAIEU-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.97
Rot. Bonds2

About 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid

3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid (PubChem CID 22099275) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid
PubChem CID22099275
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid
SMILESNCc1nncc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c6-1-4-8-3(5(10)11)2-7-9-4/h2H,1,6H2,(H,10,11)
InChIKeyYVNFMLSTRPAIEU-UHFFFAOYSA-N
XLogP-0.97
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propan-2-ylamino)-1,2,4-triazine-5-carboxylic acid
CID 105439911
pyrazine-2,6-dicarboxylic acid
CID 11601391
5-amino-1,2,4-triazine-3-carboxylic acid
CID 150970012
5-bromopyridazine-3-carboxylic acid
CID 118989582
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
3-(5-propyl-1,2,4-triazin-3-yl)propanoic acid
CID 105448909
5-formylpyridazine-3-carboxylic acid
CID 176600086
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
5-(aminomethyl)pyrimidine-2-carboxylic acid
CID 45082082
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid (CID 22099275) is 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid is NCc1nncc(C(=O)O)n1.
What is the InChIKey of 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid?
The InChIKey is YVNFMLSTRPAIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-1-4-8-3(5(10)11)2-7-9-4/h2H,1,6H2,(H,10,11).
What are the key properties of 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid?
3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid has a molecular weight of 154.13 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid is sourced from PubChem (CID 22099275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).