ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole

C11H21N3O — CID 142345415

IUPACethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC.CCc1nnc(OC)n1C=C(C)C
InChIInChI=1S/C9H15N3O.C2H6/c1-5-8-10-11-9(13-4)12(8)6-7(2)3;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyIFNFRLJCYNJGCK-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.76
Rot. Bonds3

About ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole

ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole (PubChem CID 142345415) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole.

Molecular Properties

Compound Nameethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
PubChem CID142345415
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC.CCc1nnc(OC)n1C=C(C)C
InChIInChI=1S/C9H15N3O.C2H6/c1-5-8-10-11-9(13-4)12(8)6-7(2)3;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyIFNFRLJCYNJGCK-UHFFFAOYSA-N
XLogP2.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-3-methoxy-5-propan-2-yl-1,2,4-triazole
CID 68236235
Ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345292
Ethane;4-ethenyl-3-methyl-5-prop-1-en-2-yl-1,2,4-triazole
CID 144033869
Ethane;4-ethenyl-3-methyl-5-prop-1-en-2-yl-1,2,4-triazole;vanadium
CID 144034008
Ethane;5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 144550341
N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
CID 131089854
3-Methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345293
3-Ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
CID 142345416
4-Ethenyl-3-methyl-5-prop-1-en-2-yl-1,2,4-triazole
CID 144033870

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The IUPAC name of ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole (CID 142345415) is ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole.
What is the SMILES notation for ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The canonical SMILES for ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole is CC.CCc1nnc(OC)n1C=C(C)C.
What is the InChIKey of ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The InChIKey is IFNFRLJCYNJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-5-8-10-11-9(13-4)12(8)6-7(2)3;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole has a molecular weight of 211.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole is sourced from PubChem (CID 142345415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).