5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine

C12H12ClN3 — CID 142671286

IUPAC5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cnc(Cl)cn1)c1ccccc1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)16-12-8-14-11(13)7-15-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeySTPKNZCFRXEREP-VIFPVBQESA-N
MW233.70 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine

5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine (PubChem CID 142671286) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
PubChem CID142671286
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cnc(Cl)cn1)c1ccccc1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)16-12-8-14-11(13)7-15-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeySTPKNZCFRXEREP-VIFPVBQESA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-N-(1-phenylethyl)pyridine-2,4-diamine
CID 83265107
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-(1-phenylethyl)-1,3-thiazol-4-amine
CID 57022691
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
CID 109281016
methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280991
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine (CID 142671286) is 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine is C[C@H](Nc1cnc(Cl)cn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
The InChIKey is STPKNZCFRXEREP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)16-12-8-14-11(13)7-15-12/h2-9H,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine?
5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine is sourced from PubChem (CID 142671286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).