[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine

C16H23N5 — CID 114597968

IUPAC[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
SMILESCC1CC(C)C(C)N(c2nc(NN)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-10-8-11(2)12(3)21(9-10)15-13-6-4-5-7-14(13)18-16(19-15)20-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyOOTGXNFXDIULCQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.79
Rot. Bonds2

About [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine

[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine (PubChem CID 114597968) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
PubChem CID114597968
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
SMILESCC1CC(C)C(C)N(c2nc(NN)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-10-8-11(2)12(3)21(9-10)15-13-6-4-5-7-14(13)18-16(19-15)20-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyOOTGXNFXDIULCQ-UHFFFAOYSA-N
XLogP2.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.79
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 [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine (CID 114597968) is [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine is CC1CC(C)C(C)N(c2nc(NN)nc3ccccc23)C1.
What is the InChIKey of [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine?
The InChIKey is OOTGXNFXDIULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-8-11(2)12(3)21(9-10)15-13-6-4-5-7-14(13)18-16(19-15)20-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19,20).
What are the key properties of [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine?
[4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine has a molecular weight of 285.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,5-trimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 114597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).