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

C6H7N3O2 — CID 61361019

IUPAC2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncn[nH]1
InChIInChI=1S/C6H7N3O2/c10-6(11)4-1-3(4)5-7-2-8-9-5/h2-4H,1H2,(H,10,11)(H,7,8,9)
InChIKeyXSEMHAHPSXESOA-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.01
Rot. Bonds2

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

2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 61361019) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID61361019
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncn[nH]1
InChIInChI=1S/C6H7N3O2/c10-6(11)4-1-3(4)5-7-2-8-9-5/h2-4H,1H2,(H,10,11)(H,7,8,9)
InChIKeyXSEMHAHPSXESOA-UHFFFAOYSA-N
XLogP-0.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4H-1,2,4-triazol-3-yl)propanoic acid
CID 57708787
rac-(1R,2S)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832263
rac-lithium(1+) (1R,2R)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
CID 138039840
2-(1H-1,2,4-triazol-5-yl)cyclopropane-1,1-dicarboxylic acid
CID 90766445
2-(4-ethyl-4H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62694471
4,4,4-trifluoro-3-(1H-1,2,4-triazol-3-yl)butanoic acid
CID 83389180
rac-(1R,2R)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832262
4,4-difluoro-3-(1H-1,2,4-triazol-3-yl)butanoic acid
CID 165735598
4-(1H-1,2,4-triazol-3-yl)butanoic acid
CID 61360424
5-(4H-1,2,4-triazol-3-yl)pentanoic acid
CID 61360827
2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
CID 61345949
2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 61346550

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid (CID 61361019) is 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is XSEMHAHPSXESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)4-1-3(4)5-7-2-8-9-5/h2-4H,1H2,(H,10,11)(H,7,8,9).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61361019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).