N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine

C12H12FN3 — CID 60631879

IUPACN-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnccn1)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3/c1-9(10-2-4-11(13)5-3-10)16-12-8-14-6-7-15-12/h2-9H,1H3,(H,15,16)
InChIKeyUIGGYUXZECFRSY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine

N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 60631879) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
PubChem CID60631879
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnccn1)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3/c1-9(10-2-4-11(13)5-3-10)16-12-8-14-6-7-15-12/h2-9H,1H3,(H,15,16)
InChIKeyUIGGYUXZECFRSY-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 60967003
1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
CID 86805519
N-[amino-[4-[(1R)-1-(pyrazin-2-ylamino)ethyl]phenyl]methyl]hydroxylamine
CID 153384032
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
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyridine-3-carboxylic acid
CID 67007882
4-N-[2-(dimethylamino)ethyl]-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,4,6-triamine
CID 56600393
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperazin-1-yl-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672027
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 56837785

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine (CID 60631879) is N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine is CC(Nc1cnccn1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is UIGGYUXZECFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-9(10-2-4-11(13)5-3-10)16-12-8-14-6-7-15-12/h2-9H,1H3,(H,15,16).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 60631879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).