4-butyl-5-propyl-2H-triazole

C9H17N3 — CID 69382239

IUPAC4-butyl-5-propyl-2H-triazole
SMILESCCCCc1n[nH]nc1CCC
InChIInChI=1S/C9H17N3/c1-3-5-7-9-8(6-4-2)10-12-11-9/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyTZMGYOMIGMIZPH-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.10
Rot. Bonds5

About 4-butyl-5-propyl-2H-triazole

4-butyl-5-propyl-2H-triazole (PubChem CID 69382239) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-butyl-5-propyl-2H-triazole.

Molecular Properties

Compound Name4-butyl-5-propyl-2H-triazole
PubChem CID69382239
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-butyl-5-propyl-2H-triazole
SMILESCCCCc1n[nH]nc1CCC
InChIInChI=1S/C9H17N3/c1-3-5-7-9-8(6-4-2)10-12-11-9/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyTZMGYOMIGMIZPH-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-propyl-2H-triazole?
The IUPAC name of 4-butyl-5-propyl-2H-triazole (CID 69382239) is 4-butyl-5-propyl-2H-triazole.
What is the SMILES notation for 4-butyl-5-propyl-2H-triazole?
The canonical SMILES for 4-butyl-5-propyl-2H-triazole is CCCCc1n[nH]nc1CCC.
What is the InChIKey of 4-butyl-5-propyl-2H-triazole?
The InChIKey is TZMGYOMIGMIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-7-9-8(6-4-2)10-12-11-9/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of 4-butyl-5-propyl-2H-triazole?
4-butyl-5-propyl-2H-triazole has a molecular weight of 167.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-propyl-2H-triazole is sourced from PubChem (CID 69382239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).