4-propyl-1,2,4-triazole

C5H9N3 — CID 12888376

IUPAC4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1
InChIInChI=1S/C5H9N3/c1-2-3-8-4-6-7-5-8/h4-5H,2-3H2,1H3
InChIKeyUDUGWXQKDABZNV-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.69
Rot. Bonds2

About 4-propyl-1,2,4-triazole

4-propyl-1,2,4-triazole (PubChem CID 12888376) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-propyl-1,2,4-triazole
PubChem CID12888376
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1
InChIInChI=1S/C5H9N3/c1-2-3-8-4-6-7-5-8/h4-5H,2-3H2,1H3
InChIKeyUDUGWXQKDABZNV-UHFFFAOYSA-N
XLogP0.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2,4-triazole?
The IUPAC name of 4-propyl-1,2,4-triazole (CID 12888376) is 4-propyl-1,2,4-triazole.
What is the SMILES notation for 4-propyl-1,2,4-triazole?
The canonical SMILES for 4-propyl-1,2,4-triazole is CCCn1cnnc1.
What is the InChIKey of 4-propyl-1,2,4-triazole?
The InChIKey is UDUGWXQKDABZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-8-4-6-7-5-8/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyl-1,2,4-triazole?
4-propyl-1,2,4-triazole has a molecular weight of 111.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2,4-triazole is sourced from PubChem (CID 12888376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).