3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane

C36H41N5O — CID 145371839

IUPAC3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane
SMILESCCC.NNc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(CCO)c2ccccc2)c1N
InChIInChI=1S/C33H33N5O.C3H8/c34-31-29(28(21-22-39)24-13-5-1-6-14-24)23-30(36-32(31)38-35)37-33(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-3-2/h1-20,23,28,39H,21-22,34-35H2,(H2,36,37,38);3H2,1-2H3
InChIKeyCYCFAEASKHKUPL-UHFFFAOYSA-N
MW559.76 g/mol
LogP7.28
Rot. Bonds10

About 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane

3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane (PubChem CID 145371839) has the molecular formula C36H41N5O and a molecular weight of 559.76 g/mol. Its IUPAC name is 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane.

Molecular Properties

Compound Name3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane
PubChem CID145371839
Molecular FormulaC36H41N5O
Molecular Weight559.76 g/mol
Exact Mass559.33
IUPAC Name3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane
SMILESCCC.NNc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(CCO)c2ccccc2)c1N
InChIInChI=1S/C33H33N5O.C3H8/c34-31-29(28(21-22-39)24-13-5-1-6-14-24)23-30(36-32(31)38-35)37-33(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-3-2/h1-20,23,28,39H,21-22,34-35H2,(H2,36,37,38);3H2,1-2H3
InChIKeyCYCFAEASKHKUPL-UHFFFAOYSA-N
XLogP7.28
TPSA109.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.76
LogP ≤ 57.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane?
The IUPAC name of 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane (CID 145371839) is 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane.
What is the SMILES notation for 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane?
The canonical SMILES for 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane is CCC.NNc1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(CCO)c2ccccc2)c1N.
What is the InChIKey of 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane?
The InChIKey is CYCFAEASKHKUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O.C3H8/c34-31-29(28(21-22-39)24-13-5-1-6-14-24)23-30(36-32(31)38-35)37-33(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-3-2/h1-20,23,28,39H,21-22,34-35H2,(H2,36,37,38);3H2,1-2H3.
What are the key properties of 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane?
3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane has a molecular weight of 559.76 g/mol, XLogP of 7.28, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-hydrazinyl-6-(tritylamino)-4-pyridinyl]-3-phenylpropan-1-ol;propane is sourced from PubChem (CID 145371839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).