5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile

C14H13BrN4 — CID 133491419

IUPAC5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile
SMILESCC(Cc1ccccc1Br)Nc1cnc(C#N)cn1
InChIInChI=1S/C14H13BrN4/c1-10(6-11-4-2-3-5-13(11)15)19-14-9-17-12(7-16)8-18-14/h2-5,8-10H,6H2,1H3,(H,18,19)
InChIKeyZXBWYSQQGBXFGE-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.15
Rot. Bonds4

About 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile

5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile (PubChem CID 133491419) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile
PubChem CID133491419
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile
SMILESCC(Cc1ccccc1Br)Nc1cnc(C#N)cn1
InChIInChI=1S/C14H13BrN4/c1-10(6-11-4-2-3-5-13(11)15)19-14-9-17-12(7-16)8-18-14/h2-5,8-10H,6H2,1H3,(H,18,19)
InChIKeyZXBWYSQQGBXFGE-UHFFFAOYSA-N
XLogP3.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
5-[[1-(2-methoxyphenyl)-3-methylbutyl]amino]pyrazine-2-carbonitrile
CID 133485104
4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
CID 122064321
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
CID 133484216
5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile
CID 133484635
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133485202
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
2-bromo-3-(2-bromophenyl)propanenitrile
CID 82124411
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
CID 124571734
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
CID 66340366

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile (CID 133491419) is 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile is CC(Cc1ccccc1Br)Nc1cnc(C#N)cn1.
What is the InChIKey of 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile?
The InChIKey is ZXBWYSQQGBXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-10(6-11-4-2-3-5-13(11)15)19-14-9-17-12(7-16)8-18-14/h2-5,8-10H,6H2,1H3,(H,18,19).
What are the key properties of 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile?
5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile has a molecular weight of 317.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromophenyl)propan-2-ylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).