N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine

C13H20N6 — CID 66452130

IUPACN-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(-n2nc(CC)nc2CC)n1
InChIInChI=1S/C13H20N6/c1-4-11-17-12(5-2)19(18-11)13-9-15-8-10(16-13)7-14-6-3/h8-9,14H,4-7H2,1-3H3
InChIKeyXITBZKAGNYSPQM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.29
Rot. Bonds6

About N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine

N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine (PubChem CID 66452130) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine
PubChem CID66452130
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(-n2nc(CC)nc2CC)n1
InChIInChI=1S/C13H20N6/c1-4-11-17-12(5-2)19(18-11)13-9-15-8-10(16-13)7-14-6-3/h8-9,14H,4-7H2,1-3H3
InChIKeyXITBZKAGNYSPQM-UHFFFAOYSA-N
XLogP1.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine
CID 66466424
N-[[5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624456
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 114412543
1-[6-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]-N-methylmethanamine
CID 82694748
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 114490584
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
N-[[6-(3-methoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103539323
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 102728398
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
CID 80956877
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
CID 80867855
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-amine
CID 80868019
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine (CID 66452130) is N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(-n2nc(CC)nc2CC)n1.
What is the InChIKey of N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is XITBZKAGNYSPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-17-12(5-2)19(18-11)13-9-15-8-10(16-13)7-14-6-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66452130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).