3-cyclopropyl-5-ethyl-1H-1,2,4-triazole

C7H11N3 — CID 61278534

IUPAC3-cyclopropyl-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C7H11N3/c1-2-6-8-7(10-9-6)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyUCNYBUWUQPTVTR-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds2

About 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole

3-cyclopropyl-5-ethyl-1H-1,2,4-triazole (PubChem CID 61278534) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1H-1,2,4-triazole
PubChem CID61278534
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-cyclopropyl-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C7H11N3/c1-2-6-8-7(10-9-6)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyUCNYBUWUQPTVTR-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole (CID 61278534) is 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole is CCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole?
The InChIKey is UCNYBUWUQPTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-8-7(10-9-6)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole?
3-cyclopropyl-5-ethyl-1H-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61278534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).