N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine

C13H21N7 — CID 63024466

IUPACN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCn3ccnc3C2)nn1
InChIInChI=1S/C13H21N7/c1-2-14-9-12-10-20(17-16-12)8-6-18-5-7-19-4-3-15-13(19)11-18/h3-4,10,14H,2,5-9,11H2,1H3
InChIKeyDNHZZYWTFIZRLL-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.10
Rot. Bonds6

About N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 63024466) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID63024466
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCn3ccnc3C2)nn1
InChIInChI=1S/C13H21N7/c1-2-14-9-12-10-20(17-16-12)8-6-18-5-7-19-4-3-15-13(19)11-18/h3-4,10,14H,2,5-9,11H2,1H3
InChIKeyDNHZZYWTFIZRLL-UHFFFAOYSA-N
XLogP0.10
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 63024466) is N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCn3ccnc3C2)nn1.
What is the InChIKey of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is DNHZZYWTFIZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-2-14-9-12-10-20(17-16-12)8-6-18-5-7-19-4-3-15-13(19)11-18/h3-4,10,14H,2,5-9,11H2,1H3.
What are the key properties of N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).