ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide

C15H20N6O — CID 90992254

IUPACethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide
SMILESCC.CNC(=O)c1cn(CCc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C13H14N6O.C2H6/c1-14-13(20)10-8-19(7-6-12-15-17-18-16-12)11-5-3-2-4-9(10)11;1-2/h2-5,8H,6-7H2,1H3,(H,14,20)(H,15,16,17,18);1-2H3
InChIKeyWJWJCFLZKSHTAU-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.78
Rot. Bonds4

About ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide

ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide (PubChem CID 90992254) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide
PubChem CID90992254
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Nameethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide
SMILESCC.CNC(=O)c1cn(CCc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C13H14N6O.C2H6/c1-14-13(20)10-8-19(7-6-12-15-17-18-16-12)11-5-3-2-4-9(10)11;1-2/h2-5,8H,6-7H2,1H3,(H,14,20)(H,15,16,17,18);1-2H3
InChIKeyWJWJCFLZKSHTAU-UHFFFAOYSA-N
XLogP1.78
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide?
The IUPAC name of ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide (CID 90992254) is ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide is CC.CNC(=O)c1cn(CCc2nn[nH]n2)c2ccccc12.
What is the InChIKey of ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide?
The InChIKey is WJWJCFLZKSHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O.C2H6/c1-14-13(20)10-8-19(7-6-12-15-17-18-16-12)11-5-3-2-4-9(10)11;1-2/h2-5,8H,6-7H2,1H3,(H,14,20)(H,15,16,17,18);1-2H3.
What are the key properties of ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide?
ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 90992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).