5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile

C12H12N4O2 — CID 133484221

IUPAC5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
SMILESCC(O)(CNc1cnc(C#N)cn1)c1ccco1
InChIInChI=1S/C12H12N4O2/c1-12(17,10-3-2-4-18-10)8-16-11-7-14-9(5-13)6-15-11/h2-4,6-7,17H,8H2,1H3,(H,15,16)
InChIKeyJOIXHLAHHQURDQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.26
Rot. Bonds4

About 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile

5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile (PubChem CID 133484221) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
PubChem CID133484221
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
SMILESCC(O)(CNc1cnc(C#N)cn1)c1ccco1
InChIInChI=1S/C12H12N4O2/c1-12(17,10-3-2-4-18-10)8-16-11-7-14-9(5-13)6-15-11/h2-4,6-7,17H,8H2,1H3,(H,15,16)
InChIKeyJOIXHLAHHQURDQ-UHFFFAOYSA-N
XLogP1.26
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-6-nitroquinoline-4-carbonitrile
CID 133323786
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133323807
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 71869969
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 96518506
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile (CID 133484221) is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile is CC(O)(CNc1cnc(C#N)cn1)c1ccco1.
What is the InChIKey of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile?
The InChIKey is JOIXHLAHHQURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-12(17,10-3-2-4-18-10)8-16-11-7-14-9(5-13)6-15-11/h2-4,6-7,17H,8H2,1H3,(H,15,16).
What are the key properties of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile?
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).