(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C9H11N5O3 — CID 104919578

IUPAC(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1nccnn1
InChIInChI=1S/C9H11N5O3/c15-7(16)6-2-1-5-14(6)9(17)12-8-10-3-4-11-13-8/h3-4,6H,1-2,5H2,(H,15,16)(H,10,12,13,17)/t6-/m1/s1
InChIKeyNSSXUEFEDDJXJO-ZCFIWIBFSA-N
MW237.22 g/mol
LogP-0.05
Rot. Bonds2

About (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104919578) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104919578
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1nccnn1
InChIInChI=1S/C9H11N5O3/c15-7(16)6-2-1-5-14(6)9(17)12-8-10-3-4-11-13-8/h3-4,6H,1-2,5H2,(H,15,16)(H,10,12,13,17)/t6-/m1/s1
InChIKeyNSSXUEFEDDJXJO-ZCFIWIBFSA-N
XLogP-0.05
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2,4-triazin-3-ylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 114388798
3-[1-(1,2,4-triazin-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 114388651
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925
1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114254226

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 104919578) is (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1nccnn1.
What is the InChIKey of (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NSSXUEFEDDJXJO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-7(16)6-2-1-5-14(6)9(17)12-8-10-3-4-11-13-8/h3-4,6H,1-2,5H2,(H,15,16)(H,10,12,13,17)/t6-/m1/s1.
What are the key properties of (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2,4-triazin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104919578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).