1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole

C11H13N5 — CID 139921602

IUPAC1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole
SMILESCc1cc2ccccc2n1CC1=NNNN1
InChIInChI=1S/C11H13N5/c1-8-6-9-4-2-3-5-10(9)16(8)7-11-12-14-15-13-11/h2-6,14-15H,7H2,1H3,(H,12,13)
InChIKeyWQUSTKQGJOPFIM-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.88
Rot. Bonds2

About 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole

1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole (PubChem CID 139921602) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole
PubChem CID139921602
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole
SMILESCc1cc2ccccc2n1CC1=NNNN1
InChIInChI=1S/C11H13N5/c1-8-6-9-4-2-3-5-10(9)16(8)7-11-12-14-15-13-11/h2-6,14-15H,7H2,1H3,(H,12,13)
InChIKeyWQUSTKQGJOPFIM-UHFFFAOYSA-N
XLogP0.88
TPSA53.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3272016
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CID 4050112
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054349
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
1-but-2-enyl-2-methylindole
CID 77019089
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
1-(2-ethylbutyl)-2-methylindole
CID 82925203
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole?
The IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole (CID 139921602) is 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole.
What is the SMILES notation for 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole?
The canonical SMILES for 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole is Cc1cc2ccccc2n1CC1=NNNN1.
What is the InChIKey of 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole?
The InChIKey is WQUSTKQGJOPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-6-9-4-2-3-5-10(9)16(8)7-11-12-14-15-13-11/h2-6,14-15H,7H2,1H3,(H,12,13).
What are the key properties of 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole?
1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole has a molecular weight of 215.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-2-methylindole is sourced from PubChem (CID 139921602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).