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

C13H14N4 — CID 116904113

IUPAC[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H14N4/c14-17-13-15-7-6-12(16-13)11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3,14H2,(H,15,16,17)
InChIKeyRABAOJQPYLGTOL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.92
Rot. Bonds2

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

[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine (PubChem CID 116904113) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
PubChem CID116904113
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H14N4/c14-17-13-15-7-6-12(16-13)11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3,14H2,(H,15,16,17)
InChIKeyRABAOJQPYLGTOL-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.92
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 [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine (CID 116904113) is [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine is NNc1nccc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is RABAOJQPYLGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-17-13-15-7-6-12(16-13)11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3,14H2,(H,15,16,17).
What are the key properties of [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine?
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 226.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116904113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).