4-methyl-1-propyltriazole

C6H11N3 — CID 59256869

IUPAC4-methyl-1-propyltriazole
SMILESCCCn1cc(C)nn1
InChIInChI=1S/C6H11N3/c1-3-4-9-5-6(2)7-8-9/h5H,3-4H2,1-2H3
InChIKeyZXLSJRXUAOMZTI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.00
Rot. Bonds2

About 4-methyl-1-propyltriazole

4-methyl-1-propyltriazole (PubChem CID 59256869) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methyl-1-propyltriazole.

Molecular Properties

Compound Name4-methyl-1-propyltriazole
PubChem CID59256869
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-methyl-1-propyltriazole
SMILESCCCn1cc(C)nn1
InChIInChI=1S/C6H11N3/c1-3-4-9-5-6(2)7-8-9/h5H,3-4H2,1-2H3
InChIKeyZXLSJRXUAOMZTI-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 4-methyl-1-propyltriazole?
The IUPAC name of 4-methyl-1-propyltriazole (CID 59256869) is 4-methyl-1-propyltriazole.
What is the SMILES notation for 4-methyl-1-propyltriazole?
The canonical SMILES for 4-methyl-1-propyltriazole is CCCn1cc(C)nn1.
What is the InChIKey of 4-methyl-1-propyltriazole?
The InChIKey is ZXLSJRXUAOMZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-9-5-6(2)7-8-9/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-propyltriazole?
4-methyl-1-propyltriazole 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 4-methyl-1-propyltriazole is sourced from PubChem (CID 59256869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).