ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate

C14H25N3O2 — CID 79471717

IUPACethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nncn1CC(C)C
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,13(18)19-8-3)12-16-15-10-17(12)9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRXBNUJHNXCISQM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds7

About ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate

ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate (PubChem CID 79471717) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate
PubChem CID79471717
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nncn1CC(C)C
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,13(18)19-8-3)12-16-15-10-17(12)9-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRXBNUJHNXCISQM-UHFFFAOYSA-N
XLogP2.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate with MolForge

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Related Compounds

ethyl 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxylate
CID 79472482
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263
ethyl 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)propanoate
CID 79471711
ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471919
ethyl 2-(4-ethyl-1,2,4-triazol-3-yl)propanoate
CID 79472412
ethyl 2-(4-propyl-1,2,4-triazol-3-yl)pentanoate
CID 79472088
ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
methyl 2-cyclopentyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]acetate
CID 112569546
ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate
CID 79480023
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate?
The IUPAC name of ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate (CID 79471717) is ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate?
The canonical SMILES for ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate is CCOC(=O)C(CC)(CC)c1nncn1CC(C)C.
What is the InChIKey of ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate?
The InChIKey is RXBNUJHNXCISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-14(7-2,13(18)19-8-3)12-16-15-10-17(12)9-11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate?
ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate has a molecular weight of 267.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate is sourced from PubChem (CID 79471717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).