1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol

C13H14FN3O — CID 86805519

IUPAC1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
SMILESCC(Nc1cnccn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-9(17-12-8-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-9,13,18H,1H3,(H,16,17)
InChIKeyFVCZAOIXBOXWPY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol

1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol (PubChem CID 86805519) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
PubChem CID86805519
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
SMILESCC(Nc1cnccn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-9(17-12-8-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-9,13,18H,1H3,(H,16,17)
InChIKeyFVCZAOIXBOXWPY-UHFFFAOYSA-N
XLogP2.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
(1S,2R)-1-(4-fluorophenyl)-2-[(6-methylsulfanylpyrazin-2-yl)amino]propan-1-ol
CID 99857861
1-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
CID 91651075
(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
CID 95624699
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866
N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 60967003
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyridine-3-carboxylic acid
CID 67007882
3-chloro-2-N-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-ylpyridine-2,6-diamine
CID 141271572
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144
(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine
CID 153384032

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol (CID 86805519) is 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol is CC(Nc1cnccn1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol?
The InChIKey is FVCZAOIXBOXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(17-12-8-15-6-7-16-12)13(18)10-2-4-11(14)5-3-10/h2-9,13,18H,1H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol?
1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol has a molecular weight of 247.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol is sourced from PubChem (CID 86805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).