6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine

C14H14ClN3 — CID 133334138

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
SMILESCN(c1cncc(Cl)n1)C1CCc2ccccc21
InChIInChI=1S/C14H14ClN3/c1-18(14-9-16-8-13(15)17-14)12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3
InChIKeyOFLMBGNHTSBMEZ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine

6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine (PubChem CID 133334138) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
PubChem CID133334138
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
SMILESCN(c1cncc(Cl)n1)C1CCc2ccccc21
InChIInChI=1S/C14H14ClN3/c1-18(14-9-16-8-13(15)17-14)12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3
InChIKeyOFLMBGNHTSBMEZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine (CID 133334138) is 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine is CN(c1cncc(Cl)n1)C1CCc2ccccc21.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
The InChIKey is OFLMBGNHTSBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-18(14-9-16-8-13(15)17-14)12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine?
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 133334138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).