(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

C14H12BrN5 — CID 12612400

IUPAC(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESNNC1=Nc2ccc(Br)cc2C(c2ccccn2)=NC1
InChIInChI=1S/C14H12BrN5/c15-9-4-5-11-10(7-9)14(12-3-1-2-6-17-12)18-8-13(19-11)20-16/h1-7H,8,16H2,(H,19,20)
InChIKeyVTZYJFDPMQSGAF-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.19
Rot. Bonds1

About (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (PubChem CID 12612400) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
PubChem CID12612400
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESNNC1=Nc2ccc(Br)cc2C(c2ccccn2)=NC1
InChIInChI=1S/C14H12BrN5/c15-9-4-5-11-10(7-9)14(12-3-1-2-6-17-12)18-8-13(19-11)20-16/h1-7H,8,16H2,(H,19,20)
InChIKeyVTZYJFDPMQSGAF-UHFFFAOYSA-N
XLogP2.19
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The IUPAC name of (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (CID 12612400) is (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.
What is the SMILES notation for (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The canonical SMILES for (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is NNC1=Nc2ccc(Br)cc2C(c2ccccn2)=NC1.
What is the InChIKey of (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The InChIKey is VTZYJFDPMQSGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-9-4-5-11-10(7-9)14(12-3-1-2-6-17-12)18-8-13(19-11)20-16/h1-7H,8,16H2,(H,19,20).
What are the key properties of (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine has a molecular weight of 330.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is sourced from PubChem (CID 12612400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).