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

C7H8N4O3 — CID 63663768

IUPAC2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H8N4O3/c12-5(3-1-4(3)6(13)14)10-7-8-2-9-11-7/h2-4H,1H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyFAXZIRPHYMWDDG-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.54
Rot. Bonds3

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

2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 63663768) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID63663768
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H8N4O3/c12-5(3-1-4(3)6(13)14)10-7-8-2-9-11-7/h2-4H,1H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyFAXZIRPHYMWDDG-UHFFFAOYSA-N
XLogP-0.54
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 63663768) is 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FAXZIRPHYMWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-5(3-1-4(3)6(13)14)10-7-8-2-9-11-7/h2-4H,1H2,(H,13,14)(H2,8,9,10,11,12).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 196.17 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63663768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).