5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile

C12H9ClN4 — CID 63658175

IUPAC5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H9ClN4/c13-10-3-1-2-9(4-10)6-16-12-8-15-11(5-14)7-17-12/h1-4,7-8H,6H2,(H,16,17)
InChIKeyVLDQJUXSUOMRGB-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.61
Rot. Bonds3

About 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile

5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 63658175) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
PubChem CID63658175
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H9ClN4/c13-10-3-1-2-9(4-10)6-16-12-8-15-11(5-14)7-17-12/h1-4,7-8H,6H2,(H,16,17)
InChIKeyVLDQJUXSUOMRGB-UHFFFAOYSA-N
XLogP2.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
5-(1,3-benzodioxol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 63658356
[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol
CID 71424011
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile (CID 63658175) is 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is VLDQJUXSUOMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-3-1-2-9(4-10)6-16-12-8-15-11(5-14)7-17-12/h1-4,7-8H,6H2,(H,16,17).
What are the key properties of 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile?
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 244.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 63658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).