5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile

C10H14N4O2 — CID 107865811

IUPAC5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
SMILESCCC(CO)(CO)Nc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4O2/c1-2-10(6-15,7-16)14-9-5-12-8(3-11)4-13-9/h4-5,15-16H,2,6-7H2,1H3,(H,13,14)
InChIKeyUEWKQLPCMHWQCZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.11
Rot. Bonds5

About 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile

5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 107865811) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
PubChem CID107865811
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
SMILESCCC(CO)(CO)Nc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4O2/c1-2-10(6-15,7-16)14-9-5-12-8(3-11)4-13-9/h4-5,15-16H,2,6-7H2,1H3,(H,13,14)
InChIKeyUEWKQLPCMHWQCZ-UHFFFAOYSA-N
XLogP-0.11
TPSA102.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile (CID 107865811) is 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile is CCC(CO)(CO)Nc1cnc(C#N)cn1.
What is the InChIKey of 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is UEWKQLPCMHWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-10(6-15,7-16)14-9-5-12-8(3-11)4-13-9/h4-5,15-16H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile?
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107865811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).