1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole

C14H19N5O — CID 154780395

IUPAC1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole
SMILESCOCC(C)n1nnnc1N1CCc2ccc(C)cc21
InChIInChI=1S/C14H19N5O/c1-10-4-5-12-6-7-18(13(12)8-10)14-15-16-17-19(14)11(2)9-20-3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyGJUMBOZGLXGQHF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole

1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole (PubChem CID 154780395) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole
PubChem CID154780395
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole
SMILESCOCC(C)n1nnnc1N1CCc2ccc(C)cc21
InChIInChI=1S/C14H19N5O/c1-10-4-5-12-6-7-18(13(12)8-10)14-15-16-17-19(14)11(2)9-20-3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyGJUMBOZGLXGQHF-UHFFFAOYSA-N
XLogP1.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole?
The IUPAC name of 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole (CID 154780395) is 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole is COCC(C)n1nnnc1N1CCc2ccc(C)cc21.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole?
The InChIKey is GJUMBOZGLXGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-5-12-6-7-18(13(12)8-10)14-15-16-17-19(14)11(2)9-20-3/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole?
1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole has a molecular weight of 273.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-yl)tetrazol-5-yl]-6-methyl-2,3-dihydroindole is sourced from PubChem (CID 154780395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).