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

C13H18N6 — CID 64579840

IUPACN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C13H18N6/c1-2-14-8-11-4-3-5-12(16-11)18-6-7-19-10-15-17-13(19)9-18/h3-5,10,14H,2,6-9H2,1H3
InChIKeyDNZKKTQSTSFYOD-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.80
Rot. Bonds4

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

N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 64579840) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID64579840
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C13H18N6/c1-2-14-8-11-4-3-5-12(16-11)18-6-7-19-10-15-17-13(19)9-18/h3-5,10,14H,2,6-9H2,1H3
InChIKeyDNZKKTQSTSFYOD-UHFFFAOYSA-N
XLogP0.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine (CID 64579840) is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CCn3cnnc3C2)n1.
What is the InChIKey of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DNZKKTQSTSFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-14-8-11-4-3-5-12(16-11)18-6-7-19-10-15-17-13(19)9-18/h3-5,10,14H,2,6-9H2,1H3.
What are the key properties of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 258.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 64579840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).