2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine

C14H23N5 — CID 80778324

IUPAC2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC2CN3CCC2CC3)n1
InChIInChI=1S/C14H23N5/c1-2-5-16-13-8-15-9-14(18-13)17-12-10-19-6-3-11(12)4-7-19/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17,18)
InChIKeyXJLLCCMOZTXKAD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.80
Rot. Bonds5

About 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine

2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80778324) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80778324
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC2CN3CCC2CC3)n1
InChIInChI=1S/C14H23N5/c1-2-5-16-13-8-15-9-14(18-13)17-12-10-19-6-3-11(12)4-7-19/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17,18)
InChIKeyXJLLCCMOZTXKAD-UHFFFAOYSA-N
XLogP1.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dimethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80777015
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
2-N-(1-ethylpiperidin-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80800932
4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 80770120
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 107584928
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
2-N-(1,1-dioxothiolan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80786198
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
6-(3-ethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80793558

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine (CID 80778324) is 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NC2CN3CCC2CC3)n1.
What is the InChIKey of 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is XJLLCCMOZTXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-5-16-13-8-15-9-14(18-13)17-12-10-19-6-3-11(12)4-7-19/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine?
2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).