1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole

C7H10N6 — CID 67571185

IUPAC1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole
SMILESCCC(c1ncn[nH]1)n1cncn1
InChIInChI=1S/C7H10N6/c1-2-6(7-9-4-10-12-7)13-5-8-3-11-13/h3-6H,2H2,1H3,(H,9,10,12)
InChIKeyHZVOVYLIJVFKNI-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.40
Rot. Bonds3

About 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole

1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole (PubChem CID 67571185) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole
PubChem CID67571185
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole
SMILESCCC(c1ncn[nH]1)n1cncn1
InChIInChI=1S/C7H10N6/c1-2-6(7-9-4-10-12-7)13-5-8-3-11-13/h3-6H,2H2,1H3,(H,9,10,12)
InChIKeyHZVOVYLIJVFKNI-UHFFFAOYSA-N
XLogP0.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole (CID 67571185) is 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole is CCC(c1ncn[nH]1)n1cncn1.
What is the InChIKey of 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole?
The InChIKey is HZVOVYLIJVFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-2-6(7-9-4-10-12-7)13-5-8-3-11-13/h3-6H,2H2,1H3,(H,9,10,12).
What are the key properties of 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole?
1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole has a molecular weight of 178.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 67571185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).