4,5-dibutyl-2H-triazole

C10H19N3 — CID 54195681

IUPAC4,5-dibutyl-2H-triazole
SMILESCCCCc1n[nH]nc1CCCC
InChIInChI=1S/C10H19N3/c1-3-5-7-9-10(8-6-4-2)12-13-11-9/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyPLPYSSVNSLXRDC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.49
Rot. Bonds6

About 4,5-dibutyl-2H-triazole

4,5-dibutyl-2H-triazole (PubChem CID 54195681) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4,5-dibutyl-2H-triazole.

Molecular Properties

Compound Name4,5-dibutyl-2H-triazole
PubChem CID54195681
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4,5-dibutyl-2H-triazole
SMILESCCCCc1n[nH]nc1CCCC
InChIInChI=1S/C10H19N3/c1-3-5-7-9-10(8-6-4-2)12-13-11-9/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyPLPYSSVNSLXRDC-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-2H-triazole?
The IUPAC name of 4,5-dibutyl-2H-triazole (CID 54195681) is 4,5-dibutyl-2H-triazole.
What is the SMILES notation for 4,5-dibutyl-2H-triazole?
The canonical SMILES for 4,5-dibutyl-2H-triazole is CCCCc1n[nH]nc1CCCC.
What is the InChIKey of 4,5-dibutyl-2H-triazole?
The InChIKey is PLPYSSVNSLXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-7-9-10(8-6-4-2)12-13-11-9/h3-8H2,1-2H3,(H,11,12,13).
What are the key properties of 4,5-dibutyl-2H-triazole?
4,5-dibutyl-2H-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-2H-triazole is sourced from PubChem (CID 54195681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).