(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine

C9H13FN4 — CID 142163841

IUPAC(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
SMILESNNc1nc(F)nc2c1CCCCC2
InChIInChI=1S/C9H13FN4/c10-9-12-7-5-3-1-2-4-6(7)8(13-9)14-11/h1-5,11H2,(H,12,13,14)
InChIKeyVGJDTGRJDBNSEH-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.17
Rot. Bonds1

About (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine

(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine (PubChem CID 142163841) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
PubChem CID142163841
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
SMILESNNc1nc(F)nc2c1CCCCC2
InChIInChI=1S/C9H13FN4/c10-9-12-7-5-3-1-2-4-6(7)8(13-9)14-11/h1-5,11H2,(H,12,13,14)
InChIKeyVGJDTGRJDBNSEH-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine?
The IUPAC name of (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine (CID 142163841) is (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine is NNc1nc(F)nc2c1CCCCC2.
What is the InChIKey of (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine?
The InChIKey is VGJDTGRJDBNSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-9-12-7-5-3-1-2-4-6(7)8(13-9)14-11/h1-5,11H2,(H,12,13,14).
What are the key properties of (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine?
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine has a molecular weight of 196.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine is sourced from PubChem (CID 142163841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).