3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid

C9H12N4O3 — CID 103550752

IUPAC3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C9H12N4O3/c14-7(12-9-10-4-11-13-9)5-1-2-6(3-5)8(15)16/h4-6H,1-3H2,(H,15,16)(H2,10,11,12,13,14)
InChIKeyKDNCQAPPOJTILB-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.24
Rot. Bonds3

About 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550752) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550752
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C9H12N4O3/c14-7(12-9-10-4-11-13-9)5-1-2-6(3-5)8(15)16/h4-6H,1-3H2,(H,15,16)(H2,10,11,12,13,14)
InChIKeyKDNCQAPPOJTILB-UHFFFAOYSA-N
XLogP0.24
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550752) is 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ncn[nH]2)C1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is KDNCQAPPOJTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-7(12-9-10-4-11-13-9)5-1-2-6(3-5)8(15)16/h4-6H,1-3H2,(H,15,16)(H2,10,11,12,13,14).
What are the key properties of 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).