[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine

C15H19N5 — CID 80914707

IUPAC[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1N1CCCc2ccccc2C1
InChIInChI=1S/C15H19N5/c1-11-9-17-15(19-16)18-14(11)20-8-4-7-12-5-2-3-6-13(12)10-20/h2-3,5-6,9H,4,7-8,10,16H2,1H3,(H,17,18,19)
InChIKeyPETACICDSGGFHJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.02
Rot. Bonds2

About [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine

[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80914707) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine
PubChem CID80914707
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1N1CCCc2ccccc2C1
InChIInChI=1S/C15H19N5/c1-11-9-17-15(19-16)18-14(11)20-8-4-7-12-5-2-3-6-13(12)10-20/h2-3,5-6,9H,4,7-8,10,16H2,1H3,(H,17,18,19)
InChIKeyPETACICDSGGFHJ-UHFFFAOYSA-N
XLogP2.02
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.02
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 [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine (CID 80914707) is [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1N1CCCc2ccccc2C1.
What is the InChIKey of [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is PETACICDSGGFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-9-17-15(19-16)18-14(11)20-8-4-7-12-5-2-3-6-13(12)10-20/h2-3,5-6,9H,4,7-8,10,16H2,1H3,(H,17,18,19).
What are the key properties of [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine?
[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 269.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).