3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine

C14H16N4 — CID 165142452

IUPAC3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine
SMILESCc1ccc2c(c1)N(Cc1nccnc1N)CC2
InChIInChI=1S/C14H16N4/c1-10-2-3-11-4-7-18(13(11)8-10)9-12-14(15)17-6-5-16-12/h2-3,5-6,8H,4,7,9H2,1H3,(H2,15,17)
InChIKeyVGVSQPBOYUSURG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds2

About 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine

3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine (PubChem CID 165142452) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine
PubChem CID165142452
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine
SMILESCc1ccc2c(c1)N(Cc1nccnc1N)CC2
InChIInChI=1S/C14H16N4/c1-10-2-3-11-4-7-18(13(11)8-10)9-12-14(15)17-6-5-16-12/h2-3,5-6,8H,4,7,9H2,1H3,(H2,15,17)
InChIKeyVGVSQPBOYUSURG-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine (CID 165142452) is 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine is Cc1ccc2c(c1)N(Cc1nccnc1N)CC2.
What is the InChIKey of 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine?
The InChIKey is VGVSQPBOYUSURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-2-3-11-4-7-18(13(11)8-10)9-12-14(15)17-6-5-16-12/h2-3,5-6,8H,4,7,9H2,1H3,(H2,15,17).
What are the key properties of 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine?
3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 165142452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).