5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline

C14H13N5 — CID 62875923

IUPAC5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline
SMILESc1cc(-c2nnc3n2CCNC3)c2cccnc2c1
InChIInChI=1S/C14H13N5/c1-3-11(10-4-2-6-16-12(10)5-1)14-18-17-13-9-15-7-8-19(13)14/h1-6,15H,7-9H2
InChIKeyPFCMRWSRYGHYIS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.60
Rot. Bonds1

About 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline

5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline (PubChem CID 62875923) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline
PubChem CID62875923
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline
SMILESc1cc(-c2nnc3n2CCNC3)c2cccnc2c1
InChIInChI=1S/C14H13N5/c1-3-11(10-4-2-6-16-12(10)5-1)14-18-17-13-9-15-7-8-19(13)14/h1-6,15H,7-9H2
InChIKeyPFCMRWSRYGHYIS-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 103342014
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67454095
3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846527
3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 64955329
1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 59402630
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
5-piperazin-1-ylquinoline
CID 10656226
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)isoquinoline;hydrochloride
CID 71225126
4-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 62587693
3-(3-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80641653
3-(3-phenyl-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 89388678
4-amino-3-quinolin-5-yl-1H-1,2,4-triazole-5-thione
CID 62876398

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline?
The IUPAC name of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline (CID 62875923) is 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline.
What is the SMILES notation for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline?
The canonical SMILES for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline is c1cc(-c2nnc3n2CCNC3)c2cccnc2c1.
What is the InChIKey of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline?
The InChIKey is PFCMRWSRYGHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-3-11(10-4-2-6-16-12(10)5-1)14-18-17-13-9-15-7-8-19(13)14/h1-6,15H,7-9H2.
What are the key properties of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline?
5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline has a molecular weight of 251.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline is sourced from PubChem (CID 62875923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).