ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate

C11H16N6O2 — CID 83232476

IUPACethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1CCc1nncn1C
InChIInChI=1S/C11H16N6O2/c1-4-19-11(18)10-15-13-8(2)17(10)6-5-9-14-12-7-16(9)3/h7H,4-6H2,1-3H3
InChIKeyRHPCHADQSUNVNR-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.13
Rot. Bonds5

About ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate

ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate (PubChem CID 83232476) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
PubChem CID83232476
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Nameethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1CCc1nncn1C
InChIInChI=1S/C11H16N6O2/c1-4-19-11(18)10-15-13-8(2)17(10)6-5-9-14-12-7-16(9)3/h7H,4-6H2,1-3H3
InChIKeyRHPCHADQSUNVNR-UHFFFAOYSA-N
XLogP0.13
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 63330208
ethyl 4-(3-ethoxypropyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231513
ethyl 4-[2-(4-fluoro-2-methylphenyl)ethyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232820
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
ethyl 4-[(4-ethylphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 106900020
ethyl 5-methyl-4-(4-propan-2-yloxybutyl)-1,2,4-triazole-3-carboxylate
CID 106007875
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
ethyl 4-(cyclobutylmethyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231515
ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
2-[5-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 81336413
ethyl 4-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine-5-carboxylate
CID 78990588

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate (CID 83232476) is ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nnc(C)n1CCc1nncn1C.
What is the InChIKey of ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate?
The InChIKey is RHPCHADQSUNVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-4-19-11(18)10-15-13-8(2)17(10)6-5-9-14-12-7-16(9)3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate?
ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 264.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 83232476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).