4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole

C12H20N6 — CID 102167210

IUPAC4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole
SMILESCCCCn1cnnc1-c1nncn1CCCC
InChIInChI=1S/C12H20N6/c1-3-5-7-17-9-13-15-11(17)12-16-14-10-18(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFZTURWYLYKFHAT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds7

About 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole

4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole (PubChem CID 102167210) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole
PubChem CID102167210
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole
SMILESCCCCn1cnnc1-c1nncn1CCCC
InChIInChI=1S/C12H20N6/c1-3-5-7-17-9-13-15-11(17)12-16-14-10-18(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFZTURWYLYKFHAT-UHFFFAOYSA-N
XLogP2.14
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The IUPAC name of 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole (CID 102167210) is 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole is CCCCn1cnnc1-c1nncn1CCCC.
What is the InChIKey of 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The InChIKey is FZTURWYLYKFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-3-5-7-17-9-13-15-11(17)12-16-14-10-18(12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole has a molecular weight of 248.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 102167210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).