N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C12H14N6O — CID 80566273

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1nn[nH]n1
InChIInChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)14-12(19)9-6-13-10-5-3-2-4-8(9)10/h2-5,7,9,13H,6H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyMBJMUDSFRKOVOP-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.59
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566273) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566273
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1nn[nH]n1
InChIInChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)14-12(19)9-6-13-10-5-3-2-4-8(9)10/h2-5,7,9,13H,6H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyMBJMUDSFRKOVOP-UHFFFAOYSA-N
XLogP0.59
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80566273) is N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is CC(NC(=O)C1CNc2ccccc21)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is MBJMUDSFRKOVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)14-12(19)9-6-13-10-5-3-2-4-8(9)10/h2-5,7,9,13H,6H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).