1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone

C12H13N5O — CID 107061812

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C12H13N5O/c1-17-15-12(14-16-17)7-11(18)9-2-3-10-8(6-9)4-5-13-10/h2-3,6,13H,4-5,7H2,1H3
InChIKeyZODTZYAHNAQXPZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.60
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061812) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061812
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C12H13N5O/c1-17-15-12(14-16-17)7-11(18)9-2-3-10-8(6-9)4-5-13-10/h2-3,6,13H,4-5,7H2,1H3
InChIKeyZODTZYAHNAQXPZ-UHFFFAOYSA-N
XLogP0.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116554273
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 80683251
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107061812) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccc3c(c2)CCN3)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ZODTZYAHNAQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-17-15-12(14-16-17)7-11(18)9-2-3-10-8(6-9)4-5-13-10/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 243.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).