3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile

C14H15N5 — CID 80823593

IUPAC3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile
SMILESCNc1cncc(N(C)Cc2cccc(C#N)c2)n1
InChIInChI=1S/C14H15N5/c1-16-13-8-17-9-14(18-13)19(2)10-12-5-3-4-11(6-12)7-15/h3-6,8-9H,10H2,1-2H3,(H,16,18)
InChIKeyHEZGRXPUZSNTDX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.03
Rot. Bonds4

About 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile

3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile (PubChem CID 80823593) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile
PubChem CID80823593
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile
SMILESCNc1cncc(N(C)Cc2cccc(C#N)c2)n1
InChIInChI=1S/C14H15N5/c1-16-13-8-17-9-14(18-13)19(2)10-12-5-3-4-11(6-12)7-15/h3-6,8-9H,10H2,1-2H3,(H,16,18)
InChIKeyHEZGRXPUZSNTDX-UHFFFAOYSA-N
XLogP2.03
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 80918950
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974
3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
3-[[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 103824452
3-[[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzonitrile
CID 137015999
3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzonitrile
CID 64983150

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile (CID 80823593) is 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile is CNc1cncc(N(C)Cc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile?
The InChIKey is HEZGRXPUZSNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-16-13-8-17-9-14(18-13)19(2)10-12-5-3-4-11(6-12)7-15/h3-6,8-9H,10H2,1-2H3,(H,16,18).
What are the key properties of 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile?
3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[6-(methylamino)pyrazin-2-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 80823593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).