1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole

C14H22N6 — CID 72839206

IUPAC1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole
SMILESCC(C)(C)n1nc(C2CCCC2)nc1Cn1ccnn1
InChIInChI=1S/C14H22N6/c1-14(2,3)20-12(10-19-9-8-15-18-19)16-13(17-20)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOLWYWGGCULWBLP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds3

About 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole

1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole (PubChem CID 72839206) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole
PubChem CID72839206
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole
SMILESCC(C)(C)n1nc(C2CCCC2)nc1Cn1ccnn1
InChIInChI=1S/C14H22N6/c1-14(2,3)20-12(10-19-9-8-15-18-19)16-13(17-20)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyOLWYWGGCULWBLP-UHFFFAOYSA-N
XLogP2.33
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole (CID 72839206) is 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole is CC(C)(C)n1nc(C2CCCC2)nc1Cn1ccnn1.
What is the InChIKey of 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole?
The InChIKey is OLWYWGGCULWBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-14(2,3)20-12(10-19-9-8-15-18-19)16-13(17-20)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole?
1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopentyl-5-(triazol-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 72839206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).