ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole

C8H15N3 — CID 171542093

IUPACethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C.CC
InChIInChI=1S/C6H9N3.C2H6/c1-4-6-8-7-5(2)9(6)3;1-2/h4H,1H2,2-3H3;1-2H3
InChIKeyYOGOJRGVONMMJG-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.79
Rot. Bonds1

About ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole

ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 171542093) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole
PubChem CID171542093
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1C.CC
InChIInChI=1S/C6H9N3.C2H6/c1-4-6-8-7-5(2)9(6)3;1-2/h4H,1H2,2-3H3;1-2H3
InChIKeyYOGOJRGVONMMJG-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
1,5-Dimethyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
CID 14495490
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
5-Ethenyl-1,4-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 58997887
1,4-dimethyl-5-[(E)-prop-1-enyl]-1,2,4-triazol-4-ium-3-thiolate
CID 58997930
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
CID 59879597
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole (CID 171542093) is ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole is C=Cc1nnc(C)n1C.CC.
What is the InChIKey of ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is YOGOJRGVONMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-4-6-8-7-5(2)9(6)3;1-2/h4H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole?
ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 171542093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).