3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile

C12H10N4O — CID 115605243

IUPAC3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(O)cc1
InChIInChI=1S/C12H10N4O/c13-7-11-12(15-6-5-14-11)16-8-9-1-3-10(17)4-2-9/h1-6,17H,8H2,(H,15,16)
InChIKeyPBZHRILCUVXMCG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.67
Rot. Bonds3

About 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile

3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 115605243) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
PubChem CID115605243
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccc(O)cc1
InChIInChI=1S/C12H10N4O/c13-7-11-12(15-6-5-14-11)16-8-9-1-3-10(17)4-2-9/h1-6,17H,8H2,(H,15,16)
InChIKeyPBZHRILCUVXMCG-UHFFFAOYSA-N
XLogP1.67
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
CID 114332604
N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133284759
3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283472
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283250
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 105358018
N-benzyl-2-[(3-cyanopyrazin-2-yl)amino]acetamide
CID 62671468
3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
CID 62672701
3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile
CID 55133484
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
4-[[(3-aminopyrazin-2-yl)amino]methyl]benzonitrile
CID 113228938

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile (CID 115605243) is 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is PBZHRILCUVXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-7-11-12(15-6-5-14-11)16-8-9-1-3-10(17)4-2-9/h1-6,17H,8H2,(H,15,16).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile?
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 115605243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).