1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole

C11H21N3 — CID 69381708

IUPAC1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole
SMILESCCn1nnc(CC(C)C)c1C(C)C
InChIInChI=1S/C11H21N3/c1-6-14-11(9(4)5)10(12-13-14)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyNESKKTDONYSNIV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds4

About 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole

1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole (PubChem CID 69381708) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole
PubChem CID69381708
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole
SMILESCCn1nnc(CC(C)C)c1C(C)C
InChIInChI=1S/C11H21N3/c1-6-14-11(9(4)5)10(12-13-14)7-8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyNESKKTDONYSNIV-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole?
The IUPAC name of 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole (CID 69381708) is 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole.
What is the SMILES notation for 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole?
The canonical SMILES for 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole is CCn1nnc(CC(C)C)c1C(C)C.
What is the InChIKey of 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole?
The InChIKey is NESKKTDONYSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-14-11(9(4)5)10(12-13-14)7-8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole?
1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpropyl)-5-propan-2-yltriazole is sourced from PubChem (CID 69381708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).