2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol

C12H22N4O — CID 80796692

IUPAC2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
SMILESCCCNc1cncc(N(CCC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-3-5-14-11-9-13-10-12(15-11)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyYTMOBZHNXCQKSH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds8

About 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol

2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol (PubChem CID 80796692) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
PubChem CID80796692
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
SMILESCCCNc1cncc(N(CCC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-3-5-14-11-9-13-10-12(15-11)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyYTMOBZHNXCQKSH-UHFFFAOYSA-N
XLogP1.51
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
2-[propyl-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102717771
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
CID 112667733
N-ethyl-6-hydrazinyl-N-propylpyrazin-2-amine
CID 80943651
3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
CID 80806836
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol?
The IUPAC name of 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol (CID 80796692) is 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol is CCCNc1cncc(N(CCC)CCO)n1.
What is the InChIKey of 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol?
The InChIKey is YTMOBZHNXCQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-14-11-9-13-10-12(15-11)16(6-4-2)7-8-17/h9-10,17H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol?
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol is sourced from PubChem (CID 80796692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).