tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C14H21N5O2 — CID 67339970

IUPACtert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ccc(NN)nn2)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-8-6-10(7-9-19)11-4-5-12(16-15)18-17-11/h4-6H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyDHTNPNUSAVVNEP-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 67339970) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID67339970
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nametert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ccc(NN)nn2)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-8-6-10(7-9-19)11-4-5-12(16-15)18-17-11/h4-6H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyDHTNPNUSAVVNEP-UHFFFAOYSA-N
XLogP1.79
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.79
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 tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 67339970) is tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2ccc(NN)nn2)CC1.
What is the InChIKey of tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DHTNPNUSAVVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-8-6-10(7-9-19)11-4-5-12(16-15)18-17-11/h4-6H,7-9,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 291.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67339970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).