5-(3-methylbutylamino)pyrazine-2-carbonitrile

C10H14N4 — CID 63660331

IUPAC5-(3-methylbutylamino)pyrazine-2-carbonitrile
SMILESCC(C)CCNc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4/c1-8(2)3-4-12-10-7-13-9(5-11)6-14-10/h6-8H,3-4H2,1-2H3,(H,12,14)
InChIKeyVCLFLPCQKTXKBC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds4

About 5-(3-methylbutylamino)pyrazine-2-carbonitrile

5-(3-methylbutylamino)pyrazine-2-carbonitrile (PubChem CID 63660331) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(3-methylbutylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylbutylamino)pyrazine-2-carbonitrile
PubChem CID63660331
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name5-(3-methylbutylamino)pyrazine-2-carbonitrile
SMILESCC(C)CCNc1cnc(C#N)cn1
InChIInChI=1S/C10H14N4/c1-8(2)3-4-12-10-7-13-9(5-11)6-14-10/h6-8H,3-4H2,1-2H3,(H,12,14)
InChIKeyVCLFLPCQKTXKBC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
CID 65226638
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918240
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-(2-thiophen-3-ylpropylamino)pyrazine-2-carbonitrile
CID 133485018
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
CID 133484216
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-methylbutylamino)pyrazine-2-carbonitrile (CID 63660331) is 5-(3-methylbutylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylbutylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-methylbutylamino)pyrazine-2-carbonitrile is CC(C)CCNc1cnc(C#N)cn1.
What is the InChIKey of 5-(3-methylbutylamino)pyrazine-2-carbonitrile?
The InChIKey is VCLFLPCQKTXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)3-4-12-10-7-13-9(5-11)6-14-10/h6-8H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 5-(3-methylbutylamino)pyrazine-2-carbonitrile?
5-(3-methylbutylamino)pyrazine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63660331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).