2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile

C9H10N6 — CID 80754040

IUPAC2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile
SMILESCNc1cncc(N(CC#N)CC#N)n1
InChIInChI=1S/C9H10N6/c1-12-8-6-13-7-9(14-8)15(4-2-10)5-3-11/h6-7H,4-5H2,1H3,(H,12,14)
InChIKeyNNJARMHAZVSRKE-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.37
Rot. Bonds4

About 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile

2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile (PubChem CID 80754040) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile
PubChem CID80754040
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile
SMILESCNc1cncc(N(CC#N)CC#N)n1
InChIInChI=1S/C9H10N6/c1-12-8-6-13-7-9(14-8)15(4-2-10)5-3-11/h6-7H,4-5H2,1H3,(H,12,14)
InChIKeyNNJARMHAZVSRKE-UHFFFAOYSA-N
XLogP0.37
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812725
2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80754593
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-6-N-methylpyrazine-2,6-diamine
CID 80806190
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
2-[cyanomethyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetonitrile
CID 80946486
2-N,6-N-dimethyl-2-N-(2-methylpropyl)pyrazine-2,6-diamine
CID 80775938
3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile
CID 80823593
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
3-[ethyl-[6-(propylamino)pyrazin-2-yl]amino]-2-methylpropanenitrile
CID 80806836
2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
CID 80756634

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile?
The IUPAC name of 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile (CID 80754040) is 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile.
What is the SMILES notation for 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile?
The canonical SMILES for 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile is CNc1cncc(N(CC#N)CC#N)n1.
What is the InChIKey of 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile?
The InChIKey is NNJARMHAZVSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-12-8-6-13-7-9(14-8)15(4-2-10)5-3-11/h6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile?
2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile has a molecular weight of 202.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile is sourced from PubChem (CID 80754040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).