5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole

C12H23N3 — CID 69385134

IUPAC5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole
SMILESCCCc1nnn(C(C)C)c1CC(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11-12(8-9(2)3)15(10(4)5)14-13-11/h9-10H,6-8H2,1-5H3
InChIKeyHMCFRWJQWQSOMM-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.01
Rot. Bonds5

About 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole

5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole (PubChem CID 69385134) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole
PubChem CID69385134
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole
SMILESCCCc1nnn(C(C)C)c1CC(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11-12(8-9(2)3)15(10(4)5)14-13-11/h9-10H,6-8H2,1-5H3
InChIKeyHMCFRWJQWQSOMM-UHFFFAOYSA-N
XLogP3.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole?
The IUPAC name of 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole (CID 69385134) is 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole.
What is the SMILES notation for 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole?
The canonical SMILES for 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole is CCCc1nnn(C(C)C)c1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole?
The InChIKey is HMCFRWJQWQSOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-11-12(8-9(2)3)15(10(4)5)14-13-11/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole?
5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole has a molecular weight of 209.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole is sourced from PubChem (CID 69385134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).