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

C8H13N3 — CID 171723470

IUPAC5-ethenyl-1-methyl-4-propan-2-yltriazole
SMILESC=Cc1c(C(C)C)nnn1C
InChIInChI=1S/C8H13N3/c1-5-7-8(6(2)3)9-10-11(7)4/h5-6H,1H2,2-4H3
InChIKeyIBPUCGLYHWHTIC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds2

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

5-ethenyl-1-methyl-4-propan-2-yltriazole (PubChem CID 171723470) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-propan-2-yltriazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-propan-2-yltriazole
PubChem CID171723470
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-ethenyl-1-methyl-4-propan-2-yltriazole
SMILESC=Cc1c(C(C)C)nnn1C
InChIInChI=1S/C8H13N3/c1-5-7-8(6(2)3)9-10-11(7)4/h5-6H,1H2,2-4H3
InChIKeyIBPUCGLYHWHTIC-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-propan-2-yltriazole?
The IUPAC name of 5-ethenyl-1-methyl-4-propan-2-yltriazole (CID 171723470) is 5-ethenyl-1-methyl-4-propan-2-yltriazole.
What is the SMILES notation for 5-ethenyl-1-methyl-4-propan-2-yltriazole?
The canonical SMILES for 5-ethenyl-1-methyl-4-propan-2-yltriazole is C=Cc1c(C(C)C)nnn1C.
What is the InChIKey of 5-ethenyl-1-methyl-4-propan-2-yltriazole?
The InChIKey is IBPUCGLYHWHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-7-8(6(2)3)9-10-11(7)4/h5-6H,1H2,2-4H3.
What are the key properties of 5-ethenyl-1-methyl-4-propan-2-yltriazole?
5-ethenyl-1-methyl-4-propan-2-yltriazole has a molecular weight of 151.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-4-propan-2-yltriazole is sourced from PubChem (CID 171723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).