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

C8H10N4O3 — CID 60978335

IUPAC2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H10N4O3/c13-7(4-1-5(4)8(14)15)9-2-6-10-3-11-12-6/h3-5H,1-2H2,(H,9,13)(H,14,15)(H,10,11,12)
InChIKeyULRMALHHBBPGHY-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.86
Rot. Bonds4

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

2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60978335) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60978335
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H10N4O3/c13-7(4-1-5(4)8(14)15)9-2-6-10-3-11-12-6/h3-5H,1-2H2,(H,9,13)(H,14,15)(H,10,11,12)
InChIKeyULRMALHHBBPGHY-UHFFFAOYSA-N
XLogP-0.86
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.86
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-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60978335) is 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ULRMALHHBBPGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-7(4-1-5(4)8(14)15)9-2-6-10-3-11-12-6/h3-5H,1-2H2,(H,9,13)(H,14,15)(H,10,11,12).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.86, 4 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-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60978335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).