8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

C15H16N6 — CID 58328680

IUPAC8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCNc1nnc2c(N3CCCc4ccccc43)nccn12
InChIInChI=1S/C15H16N6/c1-16-15-19-18-14-13(17-8-10-21(14)15)20-9-4-6-11-5-2-3-7-12(11)20/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,19)
InChIKeyLWTVKCHIRXPKTC-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.25
Rot. Bonds2

About 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (PubChem CID 58328680) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
PubChem CID58328680
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCNc1nnc2c(N3CCCc4ccccc43)nccn12
InChIInChI=1S/C15H16N6/c1-16-15-19-18-14-13(17-8-10-21(14)15)20-9-4-6-11-5-2-3-7-12(11)20/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,19)
InChIKeyLWTVKCHIRXPKTC-UHFFFAOYSA-N
XLogP2.25
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The IUPAC name of 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (CID 58328680) is 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.
What is the SMILES notation for 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The canonical SMILES for 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is CNc1nnc2c(N3CCCc4ccccc43)nccn12.
What is the InChIKey of 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The InChIKey is LWTVKCHIRXPKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-16-15-19-18-14-13(17-8-10-21(14)15)20-9-4-6-11-5-2-3-7-12(11)20/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,19).
What are the key properties of 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine has a molecular weight of 280.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is sourced from PubChem (CID 58328680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).