1-propyltriazole

C5H9N3 — CID 21161643

IUPAC1-propyltriazole
SMILESCCCn1ccnn1
InChIInChI=1S/C5H9N3/c1-2-4-8-5-3-6-7-8/h3,5H,2,4H2,1H3
InChIKeyVAUFFDKLUVJZTG-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.69
Rot. Bonds2

About 1-propyltriazole

1-propyltriazole (PubChem CID 21161643) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-propyltriazole.

Molecular Properties

Compound Name1-propyltriazole
PubChem CID21161643
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-propyltriazole
SMILESCCCn1ccnn1
InChIInChI=1S/C5H9N3/c1-2-4-8-5-3-6-7-8/h3,5H,2,4H2,1H3
InChIKeyVAUFFDKLUVJZTG-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 1-propyltriazole?
The IUPAC name of 1-propyltriazole (CID 21161643) is 1-propyltriazole.
What is the SMILES notation for 1-propyltriazole?
The canonical SMILES for 1-propyltriazole is CCCn1ccnn1.
What is the InChIKey of 1-propyltriazole?
The InChIKey is VAUFFDKLUVJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-4-8-5-3-6-7-8/h3,5H,2,4H2,1H3.
What are the key properties of 1-propyltriazole?
1-propyltriazole 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 1-propyltriazole is sourced from PubChem (CID 21161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).