1-ethyl-5-prop-1-en-2-yltriazole

C7H11N3 — CID 115011317

IUPAC1-ethyl-5-prop-1-en-2-yltriazole
SMILESC=C(C)c1cnnn1CC
InChIInChI=1S/C7H11N3/c1-4-10-7(6(2)3)5-8-9-10/h5H,2,4H2,1,3H3
InChIKeyDJAYYVRZLSTYLW-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.33
Rot. Bonds2

About 1-ethyl-5-prop-1-en-2-yltriazole

1-ethyl-5-prop-1-en-2-yltriazole (PubChem CID 115011317) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethyl-5-prop-1-en-2-yltriazole.

Molecular Properties

Compound Name1-ethyl-5-prop-1-en-2-yltriazole
PubChem CID115011317
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethyl-5-prop-1-en-2-yltriazole
SMILESC=C(C)c1cnnn1CC
InChIInChI=1S/C7H11N3/c1-4-10-7(6(2)3)5-8-9-10/h5H,2,4H2,1,3H3
InChIKeyDJAYYVRZLSTYLW-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-prop-1-en-2-yltriazole?
The IUPAC name of 1-ethyl-5-prop-1-en-2-yltriazole (CID 115011317) is 1-ethyl-5-prop-1-en-2-yltriazole.
What is the SMILES notation for 1-ethyl-5-prop-1-en-2-yltriazole?
The canonical SMILES for 1-ethyl-5-prop-1-en-2-yltriazole is C=C(C)c1cnnn1CC.
What is the InChIKey of 1-ethyl-5-prop-1-en-2-yltriazole?
The InChIKey is DJAYYVRZLSTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-10-7(6(2)3)5-8-9-10/h5H,2,4H2,1,3H3.
What are the key properties of 1-ethyl-5-prop-1-en-2-yltriazole?
1-ethyl-5-prop-1-en-2-yltriazole has a molecular weight of 137.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-prop-1-en-2-yltriazole is sourced from PubChem (CID 115011317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).