2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile

C8H10N4 — CID 62846098

IUPAC2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
SMILESCc1cnc(CNCC#N)cn1
InChIInChI=1S/C8H10N4/c1-7-4-12-8(6-11-7)5-10-3-2-9/h4,6,10H,3,5H2,1H3
InChIKeyDFZUELLOQCHUPG-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.40
Rot. Bonds3

About 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile

2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile (PubChem CID 62846098) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
PubChem CID62846098
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
SMILESCc1cnc(CNCC#N)cn1
InChIInChI=1S/C8H10N4/c1-7-4-12-8(6-11-7)5-10-3-2-9/h4,6,10H,3,5H2,1H3
InChIKeyDFZUELLOQCHUPG-UHFFFAOYSA-N
XLogP0.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methylpyrazin-2-yl)methylcyanamide
CID 62846273
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 62847895
N',N'-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]ethane-1,2-diamine
CID 62845919
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
3-methoxy-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 115710591
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
5-[(5-methylpyrazin-2-yl)methylamino]pentan-1-ol
CID 62848095

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile (CID 62846098) is 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile is Cc1cnc(CNCC#N)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile?
The InChIKey is DFZUELLOQCHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-4-12-8(6-11-7)5-10-3-2-9/h4,6,10H,3,5H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile?
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile is sourced from PubChem (CID 62846098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).