5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid

C6H7N3O2 — CID 82376285

IUPAC5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C6H7N3O2/c10-6(11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,10,11)(H,7,8,9)
InChIKeyBQTSFWOGCOERRP-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.38
Rot. Bonds2

About 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid

5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid (PubChem CID 82376285) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid
PubChem CID82376285
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C6H7N3O2/c10-6(11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,10,11)(H,7,8,9)
InChIKeyBQTSFWOGCOERRP-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid (CID 82376285) is 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid is O=C(O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid?
The InChIKey is BQTSFWOGCOERRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,10,11)(H,7,8,9).
What are the key properties of 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid?
5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 82376285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).