N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

C11H12N6O — CID 80566296

IUPACN-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CNc2ccccc21
InChIInChI=1S/C11H12N6O/c18-11(13-6-10-14-16-17-15-10)8-5-12-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H,13,18)(H,14,15,16,17)
InChIKeyJHTZXUUKLOJGRF-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.03
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566296) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566296
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CNc2ccccc21
InChIInChI=1S/C11H12N6O/c18-11(13-6-10-14-16-17-15-10)8-5-12-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H,13,18)(H,14,15,16,17)
InChIKeyJHTZXUUKLOJGRF-UHFFFAOYSA-N
XLogP0.03
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide 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 N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566296) is N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCc1nn[nH]n1)C1CNc2ccccc21.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is JHTZXUUKLOJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c18-11(13-6-10-14-16-17-15-10)8-5-12-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H,13,18)(H,14,15,16,17).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 244.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).