methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate

C14H13N5O2 — CID 66782433

IUPACmethyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1CC1)cn2-c1nn[nH]n1
InChIInChI=1S/C14H13N5O2/c1-21-13(20)9-4-5-12-10(6-9)11(8-2-3-8)7-19(12)14-15-17-18-16-14/h4-8H,2-3H2,1H3,(H,15,16,17,18)
InChIKeyZNMXNBJIKGVRLS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.81
Rot. Bonds3

About methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate

methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate (PubChem CID 66782433) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate
PubChem CID66782433
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Namemethyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C1CC1)cn2-c1nn[nH]n1
InChIInChI=1S/C14H13N5O2/c1-21-13(20)9-4-5-12-10(6-9)11(8-2-3-8)7-19(12)14-15-17-18-16-14/h4-8H,2-3H2,1H3,(H,15,16,17,18)
InChIKeyZNMXNBJIKGVRLS-UHFFFAOYSA-N
XLogP1.81
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate (CID 66782433) is methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate is COC(=O)c1ccc2c(c1)c(C1CC1)cn2-c1nn[nH]n1.
What is the InChIKey of methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate?
The InChIKey is ZNMXNBJIKGVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-13(20)9-4-5-12-10(6-9)11(8-2-3-8)7-19(12)14-15-17-18-16-14/h4-8H,2-3H2,1H3,(H,15,16,17,18).
What are the key properties of methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate?
methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate is sourced from PubChem (CID 66782433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).