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

C12H14N6O — CID 76924306

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N1)c1nn[nH]n1
InChIInChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)13-12(19)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,19)(H,15,16,17,18)
InChIKeyXUURNINSLQOLKZ-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.41
Rot. Bonds3

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

N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76924306) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76924306
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N1)c1nn[nH]n1
InChIInChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)13-12(19)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,19)(H,15,16,17,18)
InChIKeyXUURNINSLQOLKZ-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-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-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76924306) is N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is CC(NC(=O)C1Cc2ccccc2N1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is XUURNINSLQOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7(11-15-17-18-16-11)13-12(19)10-6-8-4-2-3-5-9(8)14-10/h2-5,7,10,14H,6H2,1H3,(H,13,19)(H,15,16,17,18).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 0.41, 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-2-carboxamide is sourced from PubChem (CID 76924306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).