(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol

C11H19N3O — CID 129377877

IUPAC(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
SMILESCCC(CC)[C@H](O)CNc1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-14-11-8-12-5-6-13-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyGHBQTQVFRVPNSX-SNVBAGLBSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds6

About (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol

(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol (PubChem CID 129377877) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
PubChem CID129377877
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
SMILESCCC(CC)[C@H](O)CNc1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-14-11-8-12-5-6-13-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyGHBQTQVFRVPNSX-SNVBAGLBSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S)-6-(pyrazin-2-ylamino)hexane-1,2,3,4,5-pentol
CID 101005429
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 103783040
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
ethane;N-ethylpyrazin-2-amine
CID 145154365
2-methyl-3-(pyrazin-2-ylamino)propanoic acid
CID 62676796
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine
CID 133335691
(2R)-2-amino-N-[2-(pyrazin-2-ylamino)ethyl]propanamide;dihydrochloride
CID 119851731

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol?
The IUPAC name of (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol (CID 129377877) is (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol.
What is the SMILES notation for (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol?
The canonical SMILES for (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol is CCC(CC)[C@H](O)CNc1cnccn1.
What is the InChIKey of (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol?
The InChIKey is GHBQTQVFRVPNSX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-14-11-8-12-5-6-13-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol?
(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol is sourced from PubChem (CID 129377877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).