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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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).