5-methyl-3-propyl-1H-1,2,4-triazole

C6H11N3 — CID 19014014

IUPAC5-methyl-3-propyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(C)n1
InChIInChI=1S/C6H11N3/c1-3-4-6-7-5(2)8-9-6/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyPLSXIQIFBAFZGG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.07
Rot. Bonds2

About 5-methyl-3-propyl-1H-1,2,4-triazole

5-methyl-3-propyl-1H-1,2,4-triazole (PubChem CID 19014014) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methyl-3-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-propyl-1H-1,2,4-triazole
PubChem CID19014014
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-methyl-3-propyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(C)n1
InChIInChI=1S/C6H11N3/c1-3-4-6-7-5(2)8-9-6/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyPLSXIQIFBAFZGG-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-propyl-1H-1,2,4-triazole (CID 19014014) is 5-methyl-3-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-propyl-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-propyl-1H-1,2,4-triazole is CCCc1n[nH]c(C)n1.
What is the InChIKey of 5-methyl-3-propyl-1H-1,2,4-triazole?
The InChIKey is PLSXIQIFBAFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-6-7-5(2)8-9-6/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 5-methyl-3-propyl-1H-1,2,4-triazole?
5-methyl-3-propyl-1H-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 19014014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).