5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile

C9H11N5 — CID 66181833

IUPAC5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CNC1
InChIInChI=1S/C9H11N5/c1-14(8-4-11-5-8)9-6-12-7(2-10)3-13-9/h3,6,8,11H,4-5H2,1H3
InChIKeyCAVQHTWFQGDGNM-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.24
Rot. Bonds2

About 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile

5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 66181833) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID66181833
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CNC1
InChIInChI=1S/C9H11N5/c1-14(8-4-11-5-8)9-6-12-7(2-10)3-13-9/h3,6,8,11H,4-5H2,1H3
InChIKeyCAVQHTWFQGDGNM-UHFFFAOYSA-N
XLogP-0.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile (CID 66181833) is 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile is CN(c1cnc(C#N)cn1)C1CNC1.
What is the InChIKey of 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is CAVQHTWFQGDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14(8-4-11-5-8)9-6-12-7(2-10)3-13-9/h3,6,8,11H,4-5H2,1H3.
What are the key properties of 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile?
5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 66181833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).