5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole

C11H18N6 — CID 57050467

IUPAC5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole
SMILESCCC(CCn1ncnc1C)n1ncnc1C
InChIInChI=1S/C11H18N6/c1-4-11(17-10(3)13-8-15-17)5-6-16-9(2)12-7-14-16/h7-8,11H,4-6H2,1-3H3
InChIKeyGBSKMNNPIRRAIF-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.53
Rot. Bonds5

About 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole

5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole (PubChem CID 57050467) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole
PubChem CID57050467
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole
SMILESCCC(CCn1ncnc1C)n1ncnc1C
InChIInChI=1S/C11H18N6/c1-4-11(17-10(3)13-8-15-17)5-6-16-9(2)12-7-14-16/h7-8,11H,4-6H2,1-3H3
InChIKeyGBSKMNNPIRRAIF-UHFFFAOYSA-N
XLogP1.53
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole?
The IUPAC name of 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole (CID 57050467) is 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole is CCC(CCn1ncnc1C)n1ncnc1C.
What is the InChIKey of 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole?
The InChIKey is GBSKMNNPIRRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-11(17-10(3)13-8-15-17)5-6-16-9(2)12-7-14-16/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole?
5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole has a molecular weight of 234.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole is sourced from PubChem (CID 57050467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).