3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole

C8H15N3 — CID 89030537

IUPAC3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCCc1nnc(C(C)C)n1C
InChIInChI=1S/C8H15N3/c1-5-7-9-10-8(6(2)3)11(7)4/h6H,5H2,1-4H3
InChIKeyYNIQATJTDJRIPB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.50
Rot. Bonds2

About 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole

3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 89030537) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID89030537
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCCc1nnc(C(C)C)n1C
InChIInChI=1S/C8H15N3/c1-5-7-9-10-8(6(2)3)11(7)4/h6H,5H2,1-4H3
InChIKeyYNIQATJTDJRIPB-UHFFFAOYSA-N
XLogP1.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole (CID 89030537) is 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole is CCc1nnc(C(C)C)n1C.
What is the InChIKey of 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is YNIQATJTDJRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7-9-10-8(6(2)3)11(7)4/h6H,5H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 89030537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).