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

C8H15N3 — CID 69382533

IUPAC4-ethyl-1-methyl-5-propan-2-yltriazole
SMILESCCc1nnn(C)c1C(C)C
InChIInChI=1S/C8H15N3/c1-5-7-8(6(2)3)11(4)10-9-7/h6H,5H2,1-4H3
InChIKeyDZRBPQYMXXHMTR-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.50
Rot. Bonds2

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

4-ethyl-1-methyl-5-propan-2-yltriazole (PubChem CID 69382533) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5-propan-2-yltriazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-5-propan-2-yltriazole
PubChem CID69382533
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-ethyl-1-methyl-5-propan-2-yltriazole
SMILESCCc1nnn(C)c1C(C)C
InChIInChI=1S/C8H15N3/c1-5-7-8(6(2)3)11(4)10-9-7/h6H,5H2,1-4H3
InChIKeyDZRBPQYMXXHMTR-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 4-ethyl-1-methyl-5-propan-2-yltriazole?
The IUPAC name of 4-ethyl-1-methyl-5-propan-2-yltriazole (CID 69382533) is 4-ethyl-1-methyl-5-propan-2-yltriazole.
What is the SMILES notation for 4-ethyl-1-methyl-5-propan-2-yltriazole?
The canonical SMILES for 4-ethyl-1-methyl-5-propan-2-yltriazole is CCc1nnn(C)c1C(C)C.
What is the InChIKey of 4-ethyl-1-methyl-5-propan-2-yltriazole?
The InChIKey is DZRBPQYMXXHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-7-8(6(2)3)11(4)10-9-7/h6H,5H2,1-4H3.
What are the key properties of 4-ethyl-1-methyl-5-propan-2-yltriazole?
4-ethyl-1-methyl-5-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 4-ethyl-1-methyl-5-propan-2-yltriazole is sourced from PubChem (CID 69382533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).