ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate

C15H17N3O2 — CID 63381973

IUPACethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(C2(c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-13(19)12-16-14(18(2)17-12)15(9-10-15)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyCJZJVZIHKUAYAE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.07
Rot. Bonds4

About ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate

ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate (PubChem CID 63381973) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate
PubChem CID63381973
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(C2(c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-13(19)12-16-14(18(2)17-12)15(9-10-15)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyCJZJVZIHKUAYAE-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methyl-5-(phenoxymethyl)-1,2,4-triazole-3-carboxylate
CID 55218772
ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 116526208
ethyl 1-methyl-5-naphthalen-2-yl-1,2,4-triazole-3-carboxylate
CID 63382046
ethyl 1-methyl-5-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxylate
CID 63381925
ethyl 5-(1-hydroxy-2-methylpropan-2-yl)-1-phenyl-1,2,4-triazole-3-carboxylate
CID 63382177
ethyl 5-(2-methoxypropan-2-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 103022492
ethyl 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-triazole-3-carboxylate
CID 107127655
ethyl 1-benzyl-5-chloro-1,2,4-triazole-3-carboxylate
CID 155357284
ethyl 5-(3-cyanophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182921
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
ethyl 5-(2,3-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382336
ethyl 5-(methoxymethyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382492

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate (CID 63381973) is ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(C2(c3ccccc3)CC2)n(C)n1.
What is the InChIKey of ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is CJZJVZIHKUAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-13(19)12-16-14(18(2)17-12)15(9-10-15)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate?
ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 63381973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).