ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

C12H25N3 — CID 144550341

IUPACethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC.CC.CCc1ncnn1C=C(C)C
InChIInChI=1S/C8H13N3.2C2H6/c1-4-8-9-6-10-11(8)5-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyCDGYSZMGOHZNFS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.77
Rot. Bonds2

About ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (PubChem CID 144550341) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
PubChem CID144550341
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC.CC.CCc1ncnn1C=C(C)C
InChIInChI=1S/C8H13N3.2C2H6/c1-4-8-9-6-10-11(8)5-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3
InChIKeyCDGYSZMGOHZNFS-UHFFFAOYSA-N
XLogP3.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 130978156
3-(Difluoromethyl)-1-(2-methylprop-2-enyl)-1,2,4-triazole
CID 131131699
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
1,3-Diethyl-1,2,4-triazole
CID 57111660
3-Tert-butyl-1-ethyl-1,2,4-triazole
CID 58049408
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
3-Methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 58503812
1-(2-Methylpropyl)-3-propan-2-yl-1,2,4-triazole
CID 59287368
1-Propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole
CID 59796068
1-Ethyl-3-propan-2-yl-1,2,4-triazole
CID 60102744
1-(2-Methylpropyl)-5-propyl-1,2,4-triazole
CID 88974499
3-Propan-2-yl-1-propyl-1,2,4-triazole
CID 89080702

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The IUPAC name of ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (CID 144550341) is ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.
What is the SMILES notation for ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The canonical SMILES for ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is CC.CC.CCc1ncnn1C=C(C)C.
What is the InChIKey of ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The InChIKey is CDGYSZMGOHZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2C2H6/c1-4-8-9-6-10-11(8)5-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole has a molecular weight of 211.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is sourced from PubChem (CID 144550341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).