ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate

C14H15N5O2 — CID 169401283

IUPACethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccc2c(C)n(C)nc2c1
InChIInChI=1S/C14H15N5O2/c1-4-21-14(20)13-12(15-18-16-13)9-5-6-10-8(2)19(3)17-11(10)7-9/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyPFNDFJXMXIUNDQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.84
Rot. Bonds3

About ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate

ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate (PubChem CID 169401283) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate
PubChem CID169401283
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Nameethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1-c1ccc2c(C)n(C)nc2c1
InChIInChI=1S/C14H15N5O2/c1-4-21-14(20)13-12(15-18-16-13)9-5-6-10-8(2)19(3)17-11(10)7-9/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyPFNDFJXMXIUNDQ-UHFFFAOYSA-N
XLogP1.84
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(3,4-difluorophenyl)-2H-triazole-4-carboxylate
CID 169399055
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
ethyl 5-(4-chloroquinolin-6-yl)-2H-triazole-4-carboxylate
CID 169401852
ethyl 5-(3-chloro-4-iodophenyl)-2H-triazole-4-carboxylate
CID 169401856
ethyl 5-(6-chloronaphthalen-2-yl)-2H-triazole-4-carboxylate
CID 155421928
ethyl 5-(1-methylimidazol-4-yl)-2H-triazole-4-carboxylate
CID 165462445
3-(5-ethoxycarbonyl-2H-triazol-4-yl)benzoic acid
CID 169399258
ethyl 5-[4-(diethylaminomethyl)phenyl]-2H-triazole-4-carboxylate
CID 169399671
ethyl 5-(3-ethoxy-4-propoxyphenyl)-2H-triazole-4-carboxylate
CID 169399819
ethyl 5-[4-iodo-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401462
ethyl 5-(1-propan-2-ylindol-6-yl)-2H-triazole-4-carboxylate
CID 169400838
ethyl 5-(4-methylsulfonylphenyl)-2H-triazole-4-carboxylate
CID 169398981

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate (CID 169401283) is ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1-c1ccc2c(C)n(C)nc2c1.
What is the InChIKey of ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate?
The InChIKey is PFNDFJXMXIUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-4-21-14(20)13-12(15-18-16-13)9-5-6-10-8(2)19(3)17-11(10)7-9/h5-7H,4H2,1-3H3,(H,15,16,18).
What are the key properties of ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate?
ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate has a molecular weight of 285.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3-dimethylindazol-6-yl)-2H-triazole-4-carboxylate is sourced from PubChem (CID 169401283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).