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

C13H18N6 — CID 80634827

IUPAC2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCn2cnnc2C1
InChIInChI=1S/C13H18N6/c1-10-6-11(2-3-14)7-15-13(10)18-4-5-19-9-16-17-12(19)8-18/h6-7,9H,2-5,8,14H2,1H3
InChIKeyPAYJEMWKBIIIBR-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.50
Rot. Bonds3

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

2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80634827) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80634827
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCn2cnnc2C1
InChIInChI=1S/C13H18N6/c1-10-6-11(2-3-14)7-15-13(10)18-4-5-19-9-16-17-12(19)8-18/h6-7,9H,2-5,8,14H2,1H3
InChIKeyPAYJEMWKBIIIBR-UHFFFAOYSA-N
XLogP0.50
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine (CID 80634827) is 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1N1CCn2cnnc2C1.
What is the InChIKey of 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is PAYJEMWKBIIIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-6-11(2-3-14)7-15-13(10)18-4-5-19-9-16-17-12(19)8-18/h6-7,9H,2-5,8,14H2,1H3.
What are the key properties of 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 258.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).