ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole

C10H16N6 — CID 145406815

IUPACethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole
SMILESCC.CCC=C(n1cncn1)n1cncn1
InChIInChI=1S/C8H10N6.C2H6/c1-2-3-8(13-6-9-4-11-13)14-7-10-5-12-14;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyRFMOWPBIKZKOSL-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.47
Rot. Bonds3

About ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole

ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole (PubChem CID 145406815) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Nameethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole
PubChem CID145406815
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Nameethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole
SMILESCC.CCC=C(n1cncn1)n1cncn1
InChIInChI=1S/C8H10N6.C2H6/c1-2-3-8(13-6-9-4-11-13)14-7-10-5-12-14;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyRFMOWPBIKZKOSL-UHFFFAOYSA-N
XLogP1.47
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1,2,4-Triazol-1-yl)ethenyl]-1,2,4-triazole
CID 162701152
1-[2-Methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
CID 10655290
1-[1-(1,2,4-Triazol-1-yl)prop-1-enyl]-1,2,4-triazole
CID 10749776
1-[1-(1,2,4-Triazol-1-yl)but-1-enyl]-1,2,4-triazole
CID 10821506
1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole
CID 44889687

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole?
The IUPAC name of ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole (CID 145406815) is ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole.
What is the SMILES notation for ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole?
The canonical SMILES for ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole is CC.CCC=C(n1cncn1)n1cncn1.
What is the InChIKey of ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole?
The InChIKey is RFMOWPBIKZKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6.C2H6/c1-2-3-8(13-6-9-4-11-13)14-7-10-5-12-14;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole?
ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole has a molecular weight of 220.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 145406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).