(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid

C9H13N5O3 — CID 79034625

IUPAC(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CCCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C9H13N5O3/c10-9-11-6(12-13-9)7(15)14-4-2-1-3-5(14)8(16)17/h5H,1-4H2,(H,16,17)(H3,10,11,12,13)/t5-/m1/s1
InChIKeySGZOOMKCJZQZFQ-RXMQYKEDSA-N
MW239.23 g/mol
LogP-0.53
Rot. Bonds2

About (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034625) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034625
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CCCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C9H13N5O3/c10-9-11-6(12-13-9)7(15)14-4-2-1-3-5(14)8(16)17/h5H,1-4H2,(H,16,17)(H3,10,11,12,13)/t5-/m1/s1
InChIKeySGZOOMKCJZQZFQ-RXMQYKEDSA-N
XLogP-0.53
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690
(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62806655
3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 62792156
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471886
3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62794715
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62792655
(3-amino-1H-1,2,4-triazol-5-yl)-(azocan-1-yl)methanone
CID 62807162
(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
CID 144535044
1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110466478
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid (CID 79034625) is (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid is Nc1n[nH]c(C(=O)N2CCCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is SGZOOMKCJZQZFQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-9-11-6(12-13-9)7(15)14-4-2-1-3-5(14)8(16)17/h5H,1-4H2,(H,16,17)(H3,10,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).