4-ethyl-5-(2-methylpropyl)-2H-triazole

C8H15N3 — CID 69381408

IUPAC4-ethyl-5-(2-methylpropyl)-2H-triazole
SMILESCCc1n[nH]nc1CC(C)C
InChIInChI=1S/C8H15N3/c1-4-7-8(5-6(2)3)10-11-9-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyVMIHWOALZPLBHV-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds3

About 4-ethyl-5-(2-methylpropyl)-2H-triazole

4-ethyl-5-(2-methylpropyl)-2H-triazole (PubChem CID 69381408) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-ethyl-5-(2-methylpropyl)-2H-triazole.

Molecular Properties

Compound Name4-ethyl-5-(2-methylpropyl)-2H-triazole
PubChem CID69381408
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-ethyl-5-(2-methylpropyl)-2H-triazole
SMILESCCc1n[nH]nc1CC(C)C
InChIInChI=1S/C8H15N3/c1-4-7-8(5-6(2)3)10-11-9-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyVMIHWOALZPLBHV-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methylpropyl)-2H-triazole?
The IUPAC name of 4-ethyl-5-(2-methylpropyl)-2H-triazole (CID 69381408) is 4-ethyl-5-(2-methylpropyl)-2H-triazole.
What is the SMILES notation for 4-ethyl-5-(2-methylpropyl)-2H-triazole?
The canonical SMILES for 4-ethyl-5-(2-methylpropyl)-2H-triazole is CCc1n[nH]nc1CC(C)C.
What is the InChIKey of 4-ethyl-5-(2-methylpropyl)-2H-triazole?
The InChIKey is VMIHWOALZPLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7-8(5-6(2)3)10-11-9-7/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 4-ethyl-5-(2-methylpropyl)-2H-triazole?
4-ethyl-5-(2-methylpropyl)-2H-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methylpropyl)-2H-triazole is sourced from PubChem (CID 69381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).