6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

C12H15N5OS — CID 79367539

IUPAC6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Sc1nnnn1C)C2
InChIInChI=1S/C12H15N5OS/c1-17-12(14-15-16-17)19-10-5-7-3-4-8(18-2)6-9(7)11(10)13/h3-4,6,10-11H,5,13H2,1-2H3
InChIKeyDUUKNIQTMLUFBS-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.94
Rot. Bonds3

About 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367539) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79367539
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(Sc1nnnn1C)C2
InChIInChI=1S/C12H15N5OS/c1-17-12(14-15-16-17)19-10-5-7-3-4-8(18-2)6-9(7)11(10)13/h3-4,6,10-11H,5,13H2,1-2H3
InChIKeyDUUKNIQTMLUFBS-UHFFFAOYSA-N
XLogP0.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 79367539) is 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(Sc1nnnn1C)C2.
What is the InChIKey of 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DUUKNIQTMLUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-17-12(14-15-16-17)19-10-5-7-3-4-8(18-2)6-9(7)11(10)13/h3-4,6,10-11H,5,13H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).