3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile

C11H14N4O2 — CID 141384635

IUPAC3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1(O)CC(CO)C1
InChIInChI=1S/C11H14N4O2/c12-5-9-10(14-2-1-13-9)15-7-11(17)3-8(4-11)6-16/h1-2,8,16-17H,3-4,6-7H2,(H,14,15)
InChIKeyIZEQEHXUCQWZNB-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.11
Rot. Bonds4

About 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile

3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 141384635) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
PubChem CID141384635
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1(O)CC(CO)C1
InChIInChI=1S/C11H14N4O2/c12-5-9-10(14-2-1-13-9)15-7-11(17)3-8(4-11)6-16/h1-2,8,16-17H,3-4,6-7H2,(H,14,15)
InChIKeyIZEQEHXUCQWZNB-UHFFFAOYSA-N
XLogP-0.11
TPSA102.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
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 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile (CID 141384635) is 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCC1(O)CC(CO)C1.
What is the InChIKey of 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is IZEQEHXUCQWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-5-9-10(14-2-1-13-9)15-7-11(17)3-8(4-11)6-16/h1-2,8,16-17H,3-4,6-7H2,(H,14,15).
What are the key properties of 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 141384635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).