5-ethyl-1-methyl-4-propan-2-yltriazole

C8H15N3 — CID 69381585

IUPAC5-ethyl-1-methyl-4-propan-2-yltriazole
SMILESCCc1c(C(C)C)nnn1C
InChIInChI=1S/C8H15N3/c1-5-7-8(6(2)3)9-10-11(7)4/h6H,5H2,1-4H3
InChIKeyLVLZLUNEHABIDP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.50
Rot. Bonds2

About 5-ethyl-1-methyl-4-propan-2-yltriazole

5-ethyl-1-methyl-4-propan-2-yltriazole (PubChem CID 69381585) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-propan-2-yltriazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-propan-2-yltriazole
PubChem CID69381585
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5-ethyl-1-methyl-4-propan-2-yltriazole
SMILESCCc1c(C(C)C)nnn1C
InChIInChI=1S/C8H15N3/c1-5-7-8(6(2)3)9-10-11(7)4/h6H,5H2,1-4H3
InChIKeyLVLZLUNEHABIDP-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 5-ethyl-1-methyl-4-propan-2-yltriazole?
The IUPAC name of 5-ethyl-1-methyl-4-propan-2-yltriazole (CID 69381585) is 5-ethyl-1-methyl-4-propan-2-yltriazole.
What is the SMILES notation for 5-ethyl-1-methyl-4-propan-2-yltriazole?
The canonical SMILES for 5-ethyl-1-methyl-4-propan-2-yltriazole is CCc1c(C(C)C)nnn1C.
What is the InChIKey of 5-ethyl-1-methyl-4-propan-2-yltriazole?
The InChIKey is LVLZLUNEHABIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7-8(6(2)3)9-10-11(7)4/h6H,5H2,1-4H3.
What are the key properties of 5-ethyl-1-methyl-4-propan-2-yltriazole?
5-ethyl-1-methyl-4-propan-2-yltriazole 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 5-ethyl-1-methyl-4-propan-2-yltriazole is sourced from PubChem (CID 69381585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).