(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile

C16H16N4 — CID 170147789

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile
SMILESCc1ccc(-c2cccc(/C(N)=C(\C#N)NN)c2)cc1
InChIInChI=1S/C16H16N4/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16(18)15(10-17)20-19/h2-9,20H,18-19H2,1H3/b16-15-
InChIKeyMDQWXKMCCQHSRX-NXVVXOECSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds3

About (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile (PubChem CID 170147789) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile
PubChem CID170147789
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile
SMILESCc1ccc(-c2cccc(/C(N)=C(\C#N)NN)c2)cc1
InChIInChI=1S/C16H16N4/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16(18)15(10-17)20-19/h2-9,20H,18-19H2,1H3/b16-15-
InChIKeyMDQWXKMCCQHSRX-NXVVXOECSA-N
XLogP2.28
TPSA87.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile (CID 170147789) is (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile is Cc1ccc(-c2cccc(/C(N)=C(\C#N)NN)c2)cc1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile?
The InChIKey is MDQWXKMCCQHSRX-NXVVXOECSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16(18)15(10-17)20-19/h2-9,20H,18-19H2,1H3/b16-15-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile has a molecular weight of 264.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).