[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine

C15H15F3N8O — CID 170724597

IUPAC[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
SMILESNNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24)
InChIKeyTVNFVSASDVMOSU-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.35
Rot. Bonds3

About [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine

[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine (PubChem CID 170724597) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine.

Molecular Properties

Compound Name[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
PubChem CID170724597
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
SMILESNNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24)
InChIKeyTVNFVSASDVMOSU-UHFFFAOYSA-N
XLogP1.35
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The IUPAC name of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine (CID 170724597) is [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine.
What is the SMILES notation for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The canonical SMILES for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine is NNc1nc(N2CCOCC2)nc2c1ncn2-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
The InChIKey is TVNFVSASDVMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c16-15(17,18)10-7-9(1-2-20-10)26-8-21-11-12(24-19)22-14(23-13(11)26)25-3-5-27-6-4-25/h1-2,7-8H,3-6,19H2,(H,22,23,24).
What are the key properties of [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine?
[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine has a molecular weight of 380.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine is sourced from PubChem (CID 170724597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).