ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate

C15H17N3O2 — CID 166121923

IUPACethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-16-13(12-8-9-12)17-18(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyMAZWMEMXTVDXOQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate

ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate (PubChem CID 166121923) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate
PubChem CID166121923
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-16-13(12-8-9-12)17-18(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyMAZWMEMXTVDXOQ-UHFFFAOYSA-N
XLogP2.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 155678798
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
CID 175214507
ethyl 1-benzyl-5-chloro-1,2,4-triazole-3-carboxylate
CID 155357284
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 135650098
ethyl 5-cyclopropyl-1-(2-phenylethyl)triazole-4-carboxylate
CID 103106922
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
diethyl 1-benzyl-4-iodopyrazole-3,5-dicarboxylate
CID 135309002
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate (CID 166121923) is ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(C2CC2)nn1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate?
The InChIKey is MAZWMEMXTVDXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-15(19)14-16-13(12-8-9-12)17-18(14)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate?
ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 166121923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).