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

C13H19N5O — CID 64579842

IUPACN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN1CCn2cnnc2C1
InChIInChI=1S/C13H19N5O/c1-2-14-7-12-11(3-6-19-12)8-17-4-5-18-10-15-16-13(18)9-17/h3,6,10,14H,2,4-5,7-9H2,1H3
InChIKeyKFPKLMOOYOXAIR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.00
Rot. Bonds5

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

N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 64579842) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID64579842
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1CN1CCn2cnnc2C1
InChIInChI=1S/C13H19N5O/c1-2-14-7-12-11(3-6-19-12)8-17-4-5-18-10-15-16-13(18)9-17/h3,6,10,14H,2,4-5,7-9H2,1H3
InChIKeyKFPKLMOOYOXAIR-UHFFFAOYSA-N
XLogP1.00
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-carboxylic acid
CID 64575928
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[3-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 55069141
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
CID 82980371
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53193668
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethylbutan-1-ol
CID 64579638
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorobenzoic acid
CID 107119520

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine (CID 64579842) is N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1CN1CCn2cnnc2C1.
What is the InChIKey of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is KFPKLMOOYOXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-14-7-12-11(3-6-19-12)8-17-4-5-18-10-15-16-13(18)9-17/h3,6,10,14H,2,4-5,7-9H2,1H3.
What are the key properties of N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 64579842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).