2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine

C9H14N4 — CID 106198181

IUPAC2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine
SMILESCC(C)=CCNc1cnc(N)cn1
InChIInChI=1S/C9H14N4/c1-7(2)3-4-11-9-6-12-8(10)5-13-9/h3,5-6H,4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyNGLGCMBGWMVGLN-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.44
Rot. Bonds3

About 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine

2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine (PubChem CID 106198181) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine
PubChem CID106198181
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine
SMILESCC(C)=CCNc1cnc(N)cn1
InChIInChI=1S/C9H14N4/c1-7(2)3-4-11-9-6-12-8(10)5-13-9/h3,5-6H,4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyNGLGCMBGWMVGLN-UHFFFAOYSA-N
XLogP1.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
2-N-(2,2,2-trifluoroethyl)pyrazine-2,5-diamine
CID 80651958
2-N-[2-(dimethylamino)-2-methylpropyl]pyrazine-2,5-diamine
CID 80651973
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042
2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
CID 130791804

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine (CID 106198181) is 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine is CC(C)=CCNc1cnc(N)cn1.
What is the InChIKey of 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine?
The InChIKey is NGLGCMBGWMVGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(2)3-4-11-9-6-12-8(10)5-13-9/h3,5-6H,4H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine?
2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine has a molecular weight of 178.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbut-2-enyl)pyrazine-2,5-diamine is sourced from PubChem (CID 106198181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).