5-(pentan-3-ylamino)pyrazine-2-carbonitrile

C10H14N4 — CID 63658919

IUPAC5-(pentan-3-ylamino)pyrazine-2-carbonitrile
SMILESCCC(CC)Nc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4/c1-3-8(4-2)14-10-7-12-9(5-11)6-13-10/h6-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYIBUOIYAANOMQY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds4

About 5-(pentan-3-ylamino)pyrazine-2-carbonitrile

5-(pentan-3-ylamino)pyrazine-2-carbonitrile (PubChem CID 63658919) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(pentan-3-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(pentan-3-ylamino)pyrazine-2-carbonitrile
PubChem CID63658919
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name5-(pentan-3-ylamino)pyrazine-2-carbonitrile
SMILESCCC(CC)Nc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4/c1-3-8(4-2)14-10-7-12-9(5-11)6-13-10/h6-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYIBUOIYAANOMQY-UHFFFAOYSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pentan-3-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(pentan-3-ylamino)pyrazine-2-carbonitrile (CID 63658919) is 5-(pentan-3-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(pentan-3-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(pentan-3-ylamino)pyrazine-2-carbonitrile is CCC(CC)Nc1cnc(C#N)cn1.
What is the InChIKey of 5-(pentan-3-ylamino)pyrazine-2-carbonitrile?
The InChIKey is YIBUOIYAANOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-8(4-2)14-10-7-12-9(5-11)6-13-10/h6-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-(pentan-3-ylamino)pyrazine-2-carbonitrile?
5-(pentan-3-ylamino)pyrazine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentan-3-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63658919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).