ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

C10H17N3 — CID 144708189

IUPACethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1c(C)nnc1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-6-8-10-9-7(3)11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyWTEBGVZSKJSWHO-YHSAGPEESA-N
MW179.27 g/mol
LogP2.75
Rot. Bonds2

About ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 144708189) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Nameethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID144708189
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1c(C)nnc1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-6-8-10-9-7(3)11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyWTEBGVZSKJSWHO-YHSAGPEESA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-2-[3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]ethenyl]boronic acid
CID 144130269
4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole;ethane
CID 144130348
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 144708189) is ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cn1c(C)nnc1/C=C\C.CC.
What is the InChIKey of ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is WTEBGVZSKJSWHO-YHSAGPEESA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-4-6-8-10-9-7(3)11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 144708189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).