5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine

C14H14N6 — CID 64575770

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
SMILESNc1ccc(N2CCn3cnnc3C2)c2cccnc12
InChIInChI=1S/C14H14N6/c15-11-3-4-12(10-2-1-5-16-14(10)11)19-6-7-20-9-17-18-13(20)8-19/h1-5,9H,6-8,15H2
InChIKeyGKYQHWOITBZHOU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.43
Rot. Bonds1

About 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine (PubChem CID 64575770) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
PubChem CID64575770
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
SMILESNc1ccc(N2CCn3cnnc3C2)c2cccnc12
InChIInChI=1S/C14H14N6/c15-11-3-4-12(10-2-1-5-16-14(10)11)19-6-7-20-9-17-18-13(20)8-19/h1-5,9H,6-8,15H2
InChIKeyGKYQHWOITBZHOU-UHFFFAOYSA-N
XLogP1.43
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine (CID 64575770) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine is Nc1ccc(N2CCn3cnnc3C2)c2cccnc12.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine?
The InChIKey is GKYQHWOITBZHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-11-3-4-12(10-2-1-5-16-14(10)11)19-6-7-20-9-17-18-13(20)8-19/h1-5,9H,6-8,15H2.
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine has a molecular weight of 266.31 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine is sourced from PubChem (CID 64575770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).