4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole

C5H4N6O — CID 67415796

IUPAC4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
SMILESC(=C/c1ncn[nH]1)\c1nnon1
InChIInChI=1S/C5H4N6O/c1(4-6-3-7-8-4)2-5-9-11-12-10-5/h1-3H,(H,6,7,8)/b2-1+
InChIKeySUSCMUYNVMDPTP-OWOJBTEDSA-N
MW164.13 g/mol
LogP-0.25
Rot. Bonds2

About 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole

4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole (PubChem CID 67415796) has the molecular formula C5H4N6O and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole.

Molecular Properties

Compound Name4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
PubChem CID67415796
Molecular FormulaC5H4N6O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
SMILESC(=C/c1ncn[nH]1)\c1nnon1
InChIInChI=1S/C5H4N6O/c1(4-6-3-7-8-4)2-5-9-11-12-10-5/h1-3H,(H,6,7,8)/b2-1+
InChIKeySUSCMUYNVMDPTP-OWOJBTEDSA-N
XLogP-0.25
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
CID 67416642
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67416716
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67417679
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
CID 169452814
5-ethenyl-1H-1,2,4-triazole
CID 19004185
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
CID 67417521
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
N-ethyl-1H-1,2,4-triazol-5-amine
CID 55284153
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
5-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)cyclohex-3-en-1-yl]ethenyl]-1H-1,2,4-triazole
CID 162565563
1H-1,2,4-triazol-5-amine
CID 22743754

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole?
The IUPAC name of 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole (CID 67415796) is 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole.
What is the SMILES notation for 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole?
The canonical SMILES for 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole is C(=C/c1ncn[nH]1)\c1nnon1.
What is the InChIKey of 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole?
The InChIKey is SUSCMUYNVMDPTP-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H4N6O/c1(4-6-3-7-8-4)2-5-9-11-12-10-5/h1-3H,(H,6,7,8)/b2-1+.
What are the key properties of 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole?
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole has a molecular weight of 164.13 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole is sourced from PubChem (CID 67415796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).