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

C9H15N3O — CID 142345416

IUPAC3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCCc1nnc(OC)n1C=C(C)C
InChIInChI=1S/C9H15N3O/c1-5-8-10-11-9(13-4)12(8)6-7(2)3/h6H,5H2,1-4H3
InChIKeyGELAMUVLKKFBKZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.73
Rot. Bonds3

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

3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole (PubChem CID 142345416) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
PubChem CID142345416
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCCc1nnc(OC)n1C=C(C)C
InChIInChI=1S/C9H15N3O/c1-5-8-10-11-9(13-4)12(8)6-7(2)3/h6H,5H2,1-4H3
InChIKeyGELAMUVLKKFBKZ-UHFFFAOYSA-N
XLogP1.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.73
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
3,4-Diethyl-5-methoxy-1,2,4-triazole
CID 68236236
Ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345292
Ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
CID 142345415
3-Tert-butyl-4-ethenyl-5-methyl-1,2,4-triazole
CID 143183445
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
N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylprop-2-en-1-imine
CID 173866476
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
4-Ethenyl-3-methyl-5-prop-1-en-2-yl-1,2,4-triazole
CID 144033870
5-Ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 144550342

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole (CID 142345416) is 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole is CCc1nnc(OC)n1C=C(C)C.
What is the InChIKey of 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
The InChIKey is GELAMUVLKKFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-8-10-11-9(13-4)12(8)6-7(2)3/h6H,5H2,1-4H3.
What are the key properties of 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole?
3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole is sourced from PubChem (CID 142345416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).