5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile

C12H18N4O — CID 104917594

IUPAC5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
SMILESCCC(CC)C(O)CNc1cnc(C#N)cn1
InChIInChI=1S/C12H18N4O/c1-3-9(4-2)11(17)7-16-12-8-14-10(5-13)6-15-12/h6,8-9,11,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyIHBFCCFWAKVSOS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds6

About 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile

5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile (PubChem CID 104917594) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
PubChem CID104917594
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
SMILESCCC(CC)C(O)CNc1cnc(C#N)cn1
InChIInChI=1S/C12H18N4O/c1-3-9(4-2)11(17)7-16-12-8-14-10(5-13)6-15-12/h6,8-9,11,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyIHBFCCFWAKVSOS-UHFFFAOYSA-N
XLogP1.56
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
CID 65226638
(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
CID 129377877
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
CID 133484216
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile (CID 104917594) is 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile is CCC(CC)C(O)CNc1cnc(C#N)cn1.
What is the InChIKey of 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile?
The InChIKey is IHBFCCFWAKVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-9(4-2)11(17)7-16-12-8-14-10(5-13)6-15-12/h6,8-9,11,17H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile?
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104917594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).