3-diazenyl-4-(prop-2-enylamino)benzonitrile

C10H10N4 — CID 146594068

IUPAC3-diazenyl-4-(prop-2-enylamino)benzonitrile
SMILES[H]/N=N/c1cc(C#N)ccc1NCC=C
InChIInChI=1S/C10H10N4/c1-2-5-13-9-4-3-8(7-11)6-10(9)14-12/h2-4,6,12-13H,1,5H2/b14-12+
InChIKeyQSWCGHPYBUQVET-WYMLVPIESA-N
MW186.22 g/mol
LogP2.82
Rot. Bonds4

About 3-diazenyl-4-(prop-2-enylamino)benzonitrile

3-diazenyl-4-(prop-2-enylamino)benzonitrile (PubChem CID 146594068) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-diazenyl-4-(prop-2-enylamino)benzonitrile.

Molecular Properties

Compound Name3-diazenyl-4-(prop-2-enylamino)benzonitrile
PubChem CID146594068
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3-diazenyl-4-(prop-2-enylamino)benzonitrile
SMILES[H]/N=N/c1cc(C#N)ccc1NCC=C
InChIInChI=1S/C10H10N4/c1-2-5-13-9-4-3-8(7-11)6-10(9)14-12/h2-4,6,12-13H,1,5H2/b14-12+
InChIKeyQSWCGHPYBUQVET-WYMLVPIESA-N
XLogP2.82
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-(prop-2-enylamino)benzonitrile
CID 102368028
3-diazenylbenzonitrile
CID 54274843
4-(ethylamino)-3-[[(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzonitrile
CID 21061513
4-[[(E)-3-chloroprop-2-enyl]amino]-3-fluorobenzonitrile
CID 103820111
3-diazenyl-4-(ethylamino)benzoic acid
CID 163431249
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
3-[2-amino-6-(prop-2-enylamino)phenyl]propanenitrile
CID 70521252
4-(ethylamino)-3-[[(5E)-3-ethyl-4-oxo-5-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-2-ylidene]amino]benzonitrile
CID 5375820
4-(2-but-3-enoxyethylamino)-3-chlorobenzonitrile
CID 106399082
3-chloro-4-(3-cyanopropylamino)benzonitrile
CID 107807813
4-(methylamino)-3-propylbenzonitrile
CID 145178968
4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-4-(prop-2-enylamino)benzonitrile?
The IUPAC name of 3-diazenyl-4-(prop-2-enylamino)benzonitrile (CID 146594068) is 3-diazenyl-4-(prop-2-enylamino)benzonitrile.
What is the SMILES notation for 3-diazenyl-4-(prop-2-enylamino)benzonitrile?
The canonical SMILES for 3-diazenyl-4-(prop-2-enylamino)benzonitrile is [H]/N=N/c1cc(C#N)ccc1NCC=C.
What is the InChIKey of 3-diazenyl-4-(prop-2-enylamino)benzonitrile?
The InChIKey is QSWCGHPYBUQVET-WYMLVPIESA-N. The full InChI is InChI=1S/C10H10N4/c1-2-5-13-9-4-3-8(7-11)6-10(9)14-12/h2-4,6,12-13H,1,5H2/b14-12+.
What are the key properties of 3-diazenyl-4-(prop-2-enylamino)benzonitrile?
3-diazenyl-4-(prop-2-enylamino)benzonitrile has a molecular weight of 186.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-4-(prop-2-enylamino)benzonitrile is sourced from PubChem (CID 146594068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).