3-tert-butyl-1-ethyl-1,2,4-triazole

C8H15N3 — CID 58049408

IUPAC3-tert-butyl-1-ethyl-1,2,4-triazole
SMILESCCn1cnc(C(C)(C)C)n1
InChIInChI=1S/C8H15N3/c1-5-11-6-9-7(10-11)8(2,3)4/h6H,5H2,1-4H3
InChIKeyLVXYKNKVXFLNHD-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.60
Rot. Bonds1

About 3-tert-butyl-1-ethyl-1,2,4-triazole

3-tert-butyl-1-ethyl-1,2,4-triazole (PubChem CID 58049408) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1,2,4-triazole
PubChem CID58049408
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-tert-butyl-1-ethyl-1,2,4-triazole
SMILESCCn1cnc(C(C)(C)C)n1
InChIInChI=1S/C8H15N3/c1-5-11-6-9-7(10-11)8(2,3)4/h6H,5H2,1-4H3
InChIKeyLVXYKNKVXFLNHD-UHFFFAOYSA-N
XLogP1.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1H-1,2,4-triazole
CID 15745252
4-Methyl-3-(1-methylethyl)-4H-1,2,4-triazole
CID 18338545
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile
CID 59872479
1,3-Dimethyl-1,2,4-triazole
CID 307977
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
1-isopropyl-3-methyl-1H-1,2,4-triazole
CID 20744898
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
2-(1-Methyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 55291514

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1,2,4-triazole?
The IUPAC name of 3-tert-butyl-1-ethyl-1,2,4-triazole (CID 58049408) is 3-tert-butyl-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1,2,4-triazole?
The canonical SMILES for 3-tert-butyl-1-ethyl-1,2,4-triazole is CCn1cnc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-ethyl-1,2,4-triazole?
The InChIKey is LVXYKNKVXFLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11-6-9-7(10-11)8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-1-ethyl-1,2,4-triazole?
3-tert-butyl-1-ethyl-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 58049408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).