1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole

C10H11N5 — CID 121385737

IUPAC1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESCN1CCc2ccc(-c3nn[nH]n3)cc21
InChIInChI=1S/C10H11N5/c1-15-5-4-7-2-3-8(6-9(7)15)10-11-13-14-12-10/h2-3,6H,4-5H2,1H3,(H,11,12,13,14)
InChIKeyDYALGYSYJZJIPP-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.86
Rot. Bonds1

About 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole

1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole (PubChem CID 121385737) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole
PubChem CID121385737
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESCN1CCc2ccc(-c3nn[nH]n3)cc21
InChIInChI=1S/C10H11N5/c1-15-5-4-7-2-3-8(6-9(7)15)10-11-13-14-12-10/h2-3,6H,4-5H2,1H3,(H,11,12,13,14)
InChIKeyDYALGYSYJZJIPP-UHFFFAOYSA-N
XLogP0.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
CID 855820
2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole
CID 68330195
2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole
CID 126822449
2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindole
CID 70868088
2-methyl-3-(2H-tetrazol-5-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 70999094
1-[(4-fluorophenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydroindole
CID 142661867
4-ethyl-1-[3-fluoro-5-(2-methylpropyl)-2-(2H-tetrazol-5-yl)phenyl]piperidine
CID 172484122
(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole
CID 16744288
4a-methyl-3-(2H-tetrazol-5-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]-4H-carbazole
CID 162599436
N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline
CID 20786163
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-(2H-tetrazol-5-yl)phenyl]piperazine;hydrochloride
CID 23141863
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-(2H-tetrazol-5-yl)phenyl]piperazine
CID 23141864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole (CID 121385737) is 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole is CN1CCc2ccc(-c3nn[nH]n3)cc21.
What is the InChIKey of 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The InChIKey is DYALGYSYJZJIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-15-5-4-7-2-3-8(6-9(7)15)10-11-13-14-12-10/h2-3,6H,4-5H2,1H3,(H,11,12,13,14).
What are the key properties of 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole?
1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole has a molecular weight of 201.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole is sourced from PubChem (CID 121385737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).