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

C11H18N6 — CID 54349654

IUPAC5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole
SMILESCc1ncnn1CCCCCn1ncnc1C
InChIInChI=1S/C11H18N6/c1-10-12-8-14-16(10)6-4-3-5-7-17-11(2)13-9-15-17/h8-9H,3-7H2,1-2H3
InChIKeyOLLSGILKVSHMNW-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.36
Rot. Bonds6

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

5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole (PubChem CID 54349654) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole
PubChem CID54349654
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole
SMILESCc1ncnn1CCCCCn1ncnc1C
InChIInChI=1S/C11H18N6/c1-10-12-8-14-16(10)6-4-3-5-7-17-11(2)13-9-15-17/h8-9H,3-7H2,1-2H3
InChIKeyOLLSGILKVSHMNW-UHFFFAOYSA-N
XLogP1.36
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole?
The IUPAC name of 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole (CID 54349654) is 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole is Cc1ncnn1CCCCCn1ncnc1C.
What is the InChIKey of 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole?
The InChIKey is OLLSGILKVSHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-10-12-8-14-16(10)6-4-3-5-7-17-11(2)13-9-15-17/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole?
5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole has a molecular weight of 234.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole is sourced from PubChem (CID 54349654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).