1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole

C9H9N5 — CID 57298440

IUPAC1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole
SMILESC=Cn1cc(-c2nccn2C=C)nn1
InChIInChI=1S/C9H9N5/c1-3-13-6-5-10-9(13)8-7-14(4-2)12-11-8/h3-7H,1-2H2
InChIKeyIDLQHOQXVDPLIF-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.34
Rot. Bonds3

About 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole

1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole (PubChem CID 57298440) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole.

Molecular Properties

Compound Name1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole
PubChem CID57298440
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole
SMILESC=Cn1cc(-c2nccn2C=C)nn1
InChIInChI=1S/C9H9N5/c1-3-13-6-5-10-9(13)8-7-14(4-2)12-11-8/h3-7H,1-2H2
InChIKeyIDLQHOQXVDPLIF-UHFFFAOYSA-N
XLogP1.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-methyl-N-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}methanesulfonamide
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CID 70757231
5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
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Imidazolyltriazole
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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole?
The IUPAC name of 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole (CID 57298440) is 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole.
What is the SMILES notation for 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole?
The canonical SMILES for 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole is C=Cn1cc(-c2nccn2C=C)nn1.
What is the InChIKey of 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole?
The InChIKey is IDLQHOQXVDPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-3-13-6-5-10-9(13)8-7-14(4-2)12-11-8/h3-7H,1-2H2.
What are the key properties of 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole?
1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole has a molecular weight of 187.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1-ethenylimidazol-2-yl)triazole is sourced from PubChem (CID 57298440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).