3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile

C13H14N6 — CID 80918875

IUPAC3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCc1cnc(NN)nc1N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H14N6/c1-9-8-16-13(18-15)17-12(9)19(2)11-5-3-4-10(6-11)7-14/h3-6,8H,15H2,1-2H3,(H,16,17,18)
InChIKeySZGKPOLINKXMFG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.71
Rot. Bonds3

About 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile

3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile (PubChem CID 80918875) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile
PubChem CID80918875
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCc1cnc(NN)nc1N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H14N6/c1-9-8-16-13(18-15)17-12(9)19(2)11-5-3-4-10(6-11)7-14/h3-6,8H,15H2,1-2H3,(H,16,17,18)
InChIKeySZGKPOLINKXMFG-UHFFFAOYSA-N
XLogP1.71
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80904964
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
CID 102758060
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 62980884

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile?
The IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile (CID 80918875) is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile is Cc1cnc(NN)nc1N(C)c1cccc(C#N)c1.
What is the InChIKey of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile?
The InChIKey is SZGKPOLINKXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-8-16-13(18-15)17-12(9)19(2)11-5-3-4-10(6-11)7-14/h3-6,8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile?
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 80918875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).