ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate

C15H25N3O2 — CID 121340272

IUPACethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate
SMILESCCOC(=O)Cc1nnc(CCCC(C)C)n1C1CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)10-14-17-16-13(7-5-6-11(2)3)18(14)12-8-9-12/h11-12H,4-10H2,1-3H3
InChIKeyBPBRMOWKBVYOIV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.70
Rot. Bonds8

About ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate

ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate (PubChem CID 121340272) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate
PubChem CID121340272
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate
SMILESCCOC(=O)Cc1nnc(CCCC(C)C)n1C1CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)10-14-17-16-13(7-5-6-11(2)3)18(14)12-8-9-12/h11-12H,4-10H2,1-3H3
InChIKeyBPBRMOWKBVYOIV-UHFFFAOYSA-N
XLogP2.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate 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

1-Ethyl-4-isopropyl-3-(ethoxycarbonyl)methyl-5-methyl-1h-1,2,4-triazol-4-ium iodide
CID 176453016
Ethyl 3-[4-cyclopropyl-5-(3-oxobutyl)-1,2,4-triazol-3-yl]propanoate
CID 90130861
3-[4-Cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]propanoic acid
CID 121340213
ethyl (3R,4R)-4-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-1-methylpyrrolidine-3-carboxylate
CID 121340224
ethyl (3R,4R)-4-[4-cyclopropyl-5-(4,4-dimethylpentyl)-1,2,4-triazol-3-yl]-1-methylpyrrolidine-3-carboxylate
CID 121340239
4-O-tert-butyl 1-O-ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]butanedioate
CID 121340271
Ethyl 2-[3-(tert-butyl)-1-cyclohexyl-1H-1,2,4-triazol-5-yl]acetate
CID 54775562
Ethyl 1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
CID 79471145
Ethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylate
CID 79471146
Ethyl 2-(4-ethyl-1,2,4-triazol-3-yl)-4-methylpentanoate
CID 79471180
Ethyl 3-methyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)butanoate
CID 79471184
Ethyl 4-methyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)pentanoate
CID 79471185

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate?
The IUPAC name of ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate (CID 121340272) is ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate is CCOC(=O)Cc1nnc(CCCC(C)C)n1C1CC1.
What is the InChIKey of ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate?
The InChIKey is BPBRMOWKBVYOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-15(19)10-14-17-16-13(7-5-6-11(2)3)18(14)12-8-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate?
ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]acetate is sourced from PubChem (CID 121340272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).