methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate

C11H9N5O2 — CID 5200311

IUPACmethyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-n1cnnn1
InChIInChI=1S/C11H9N5O2/c1-18-11(17)9-10(16-6-12-14-15-16)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3
InChIKeyYTXCYQGPRCPFCF-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.93
Rot. Bonds2

About methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate

methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate (PubChem CID 5200311) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate
PubChem CID5200311
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Namemethyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-n1cnnn1
InChIInChI=1S/C11H9N5O2/c1-18-11(17)9-10(16-6-12-14-15-16)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3
InChIKeyYTXCYQGPRCPFCF-UHFFFAOYSA-N
XLogP0.93
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate (CID 5200311) is methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1-n1cnnn1.
What is the InChIKey of methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate?
The InChIKey is YTXCYQGPRCPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-18-11(17)9-10(16-6-12-14-15-16)7-4-2-3-5-8(7)13-9/h2-6,13H,1H3.
What are the key properties of methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate?
methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate has a molecular weight of 243.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tetrazol-1-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 5200311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).