[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine

C13H15N5O — CID 80913681

IUPAC[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C13H15N5O/c14-17-13-15-6-5-12(16-13)18-7-8-19-11-4-2-1-3-10(11)9-18/h1-6H,7-9,14H2,(H,15,16,17)
InChIKeyRHAFZWDLTPVCPR-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.16
Rot. Bonds2

About [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine

[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80913681) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine
PubChem CID80913681
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C13H15N5O/c14-17-13-15-6-5-12(16-13)18-7-8-19-11-4-2-1-3-10(11)9-18/h1-6H,7-9,14H2,(H,15,16,17)
InChIKeyRHAFZWDLTPVCPR-UHFFFAOYSA-N
XLogP1.16
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine (CID 80913681) is [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine is NNc1nccc(N2CCOc3ccccc3C2)n1.
What is the InChIKey of [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is RHAFZWDLTPVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-17-13-15-6-5-12(16-13)18-7-8-19-11-4-2-1-3-10(11)9-18/h1-6H,7-9,14H2,(H,15,16,17).
What are the key properties of [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine?
[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 257.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80913681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).