5-methyl-1-propyl-1,2,4-triazole

C6H11N3 — CID 54015825

IUPAC5-methyl-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1C
InChIInChI=1S/C6H11N3/c1-3-4-9-6(2)7-5-8-9/h5H,3-4H2,1-2H3
InChIKeyLVOCKJAFLJAJPI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.00
Rot. Bonds2

About 5-methyl-1-propyl-1,2,4-triazole

5-methyl-1-propyl-1,2,4-triazole (PubChem CID 54015825) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methyl-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-propyl-1,2,4-triazole
PubChem CID54015825
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-methyl-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1C
InChIInChI=1S/C6H11N3/c1-3-4-9-6(2)7-5-8-9/h5H,3-4H2,1-2H3
InChIKeyLVOCKJAFLJAJPI-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-1,2,4-triazole?
The IUPAC name of 5-methyl-1-propyl-1,2,4-triazole (CID 54015825) is 5-methyl-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-propyl-1,2,4-triazole is CCCn1ncnc1C.
What is the InChIKey of 5-methyl-1-propyl-1,2,4-triazole?
The InChIKey is LVOCKJAFLJAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-9-6(2)7-5-8-9/h5H,3-4H2,1-2H3.
What are the key properties of 5-methyl-1-propyl-1,2,4-triazole?
5-methyl-1-propyl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-1,2,4-triazole is sourced from PubChem (CID 54015825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).