4-ethyl-5-propyl-2H-triazole

C7H13N3 — CID 69382323

IUPAC4-ethyl-5-propyl-2H-triazole
SMILESCCCc1n[nH]nc1CC
InChIInChI=1S/C7H13N3/c1-3-5-7-6(4-2)8-10-9-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyURWUYUHRXQSIQT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.32
Rot. Bonds3

About 4-ethyl-5-propyl-2H-triazole

4-ethyl-5-propyl-2H-triazole (PubChem CID 69382323) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-5-propyl-2H-triazole.

Molecular Properties

Compound Name4-ethyl-5-propyl-2H-triazole
PubChem CID69382323
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-ethyl-5-propyl-2H-triazole
SMILESCCCc1n[nH]nc1CC
InChIInChI=1S/C7H13N3/c1-3-5-7-6(4-2)8-10-9-7/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyURWUYUHRXQSIQT-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-2H-triazole?
The IUPAC name of 4-ethyl-5-propyl-2H-triazole (CID 69382323) is 4-ethyl-5-propyl-2H-triazole.
What is the SMILES notation for 4-ethyl-5-propyl-2H-triazole?
The canonical SMILES for 4-ethyl-5-propyl-2H-triazole is CCCc1n[nH]nc1CC.
What is the InChIKey of 4-ethyl-5-propyl-2H-triazole?
The InChIKey is URWUYUHRXQSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-7-6(4-2)8-10-9-7/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 4-ethyl-5-propyl-2H-triazole?
4-ethyl-5-propyl-2H-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-2H-triazole is sourced from PubChem (CID 69382323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).