3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile

C12H18N4 — CID 65043823

IUPAC3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile
SMILESCCC(CC)(CC)Nc1nccnc1C#N
InChIInChI=1S/C12H18N4/c1-4-12(5-2,6-3)16-11-10(9-13)14-7-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyADZQECLDEJTJFM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.73
Rot. Bonds5

About 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile

3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile (PubChem CID 65043823) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile
PubChem CID65043823
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile
SMILESCCC(CC)(CC)Nc1nccnc1C#N
InChIInChI=1S/C12H18N4/c1-4-12(5-2,6-3)16-11-10(9-13)14-7-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyADZQECLDEJTJFM-UHFFFAOYSA-N
XLogP2.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile (CID 65043823) is 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile is CCC(CC)(CC)Nc1nccnc1C#N.
What is the InChIKey of 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile?
The InChIKey is ADZQECLDEJTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-12(5-2,6-3)16-11-10(9-13)14-7-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile?
3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 65043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).