(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile

C13H12N6 — CID 170147783

IUPAC(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H12N6/c14-5-12(19-16)13(15)10-3-1-9(2-4-10)11-6-17-8-18-7-11/h1-4,6-8,19H,15-16H2/b13-12-
InChIKeyGHBPKRKNKVYGQC-SEYXRHQNSA-N
MW252.28 g/mol
LogP0.76
Rot. Bonds3

About (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile (PubChem CID 170147783) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile
PubChem CID170147783
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H12N6/c14-5-12(19-16)13(15)10-3-1-9(2-4-10)11-6-17-8-18-7-11/h1-4,6-8,19H,15-16H2/b13-12-
InChIKeyGHBPKRKNKVYGQC-SEYXRHQNSA-N
XLogP0.76
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile (CID 170147783) is (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile is N#C/C(NN)=C(/N)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile?
The InChIKey is GHBPKRKNKVYGQC-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H12N6/c14-5-12(19-16)13(15)10-3-1-9(2-4-10)11-6-17-8-18-7-11/h1-4,6-8,19H,15-16H2/b13-12-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile has a molecular weight of 252.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-(4-pyrimidin-5-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 170147783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).