3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile

C14H15N5 — CID 79260472

IUPAC3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cc(NN)ccn1)c1cccc(C#N)c1
InChIInChI=1S/C14H15N5/c1-19(14-4-2-3-11(7-14)9-15)10-13-8-12(18-16)5-6-17-13/h2-8H,10,16H2,1H3,(H,17,18)
InChIKeyRFRWQUIWTAUSBD-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.88
Rot. Bonds4

About 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile

3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile (PubChem CID 79260472) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
PubChem CID79260472
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cc(NN)ccn1)c1cccc(C#N)c1
InChIInChI=1S/C14H15N5/c1-19(14-4-2-3-11(7-14)9-15)10-13-8-12(18-16)5-6-17-13/h2-8H,10,16H2,1H3,(H,17,18)
InChIKeyRFRWQUIWTAUSBD-UHFFFAOYSA-N
XLogP1.88
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 62981591
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075
3-hydrazinylbenzonitrile chloride
CID 18677448
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 64540970
3-(4-hydrazinyl-2-pyridinyl)benzonitrile
CID 102825226
N-[(4-hydrazinyl-2-pyridinyl)methyl]-2-methoxy-N-methylaniline
CID 79260460
3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63574156
3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62983329
5-[(3-cyano-N-methylanilino)methyl]-2-methylfuran-3-carbohydrazide
CID 63573992
N-ethyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]propan-1-amine
CID 79260106
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79259826
4-[(3-cyano-N-methylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974357

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The IUPAC name of 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile (CID 79260472) is 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile is CN(Cc1cc(NN)ccn1)c1cccc(C#N)c1.
What is the InChIKey of 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The InChIKey is RFRWQUIWTAUSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19(14-4-2-3-11(7-14)9-15)10-13-8-12(18-16)5-6-17-13/h2-8H,10,16H2,1H3,(H,17,18).
What are the key properties of 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 79260472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).