1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile

C13H11N7 — CID 62949579

IUPAC1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(Cc2cc3ccccc3nc2NN)n1
InChIInChI=1S/C13H11N7/c14-6-12-16-8-20(19-12)7-10-5-9-3-1-2-4-11(9)17-13(10)18-15/h1-5,8H,7,15H2,(H,17,18)
InChIKeyOULHZJDPUZQBLV-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.03
Rot. Bonds3

About 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile

1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 62949579) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
PubChem CID62949579
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(Cc2cc3ccccc3nc2NN)n1
InChIInChI=1S/C13H11N7/c14-6-12-16-8-20(19-12)7-10-5-9-3-1-2-4-11(9)17-13(10)18-15/h1-5,8H,7,15H2,(H,17,18)
InChIKeyOULHZJDPUZQBLV-UHFFFAOYSA-N
XLogP1.03
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile (CID 62949579) is 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(Cc2cc3ccccc3nc2NN)n1.
What is the InChIKey of 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is OULHZJDPUZQBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-6-12-16-8-20(19-12)7-10-5-9-3-1-2-4-11(9)17-13(10)18-15/h1-5,8H,7,15H2,(H,17,18).
What are the key properties of 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile?
1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 62949579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).