N-(9-benzhydrylpurin-6-yl)hydroxylamine

C18H15N5O — CID 53427874

IUPACN-(9-benzhydrylpurin-6-yl)hydroxylamine
SMILESONc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N5O/c24-22-17-15-18(20-11-19-17)23(12-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,24H,(H,19,20,22)
InChIKeyMNIUXBMVRRGIFF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.27
Rot. Bonds4

About N-(9-benzhydrylpurin-6-yl)hydroxylamine

N-(9-benzhydrylpurin-6-yl)hydroxylamine (PubChem CID 53427874) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(9-benzhydrylpurin-6-yl)hydroxylamine.

Molecular Properties

Compound NameN-(9-benzhydrylpurin-6-yl)hydroxylamine
PubChem CID53427874
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(9-benzhydrylpurin-6-yl)hydroxylamine
SMILESONc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N5O/c24-22-17-15-18(20-11-19-17)23(12-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,24H,(H,19,20,22)
InChIKeyMNIUXBMVRRGIFF-UHFFFAOYSA-N
XLogP3.27
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-benzhydrylpurin-6-yl)hydroxylamine?
The IUPAC name of N-(9-benzhydrylpurin-6-yl)hydroxylamine (CID 53427874) is N-(9-benzhydrylpurin-6-yl)hydroxylamine.
What is the SMILES notation for N-(9-benzhydrylpurin-6-yl)hydroxylamine?
The canonical SMILES for N-(9-benzhydrylpurin-6-yl)hydroxylamine is ONc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(9-benzhydrylpurin-6-yl)hydroxylamine?
The InChIKey is MNIUXBMVRRGIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-22-17-15-18(20-11-19-17)23(12-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,24H,(H,19,20,22).
What are the key properties of N-(9-benzhydrylpurin-6-yl)hydroxylamine?
N-(9-benzhydrylpurin-6-yl)hydroxylamine has a molecular weight of 317.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzhydrylpurin-6-yl)hydroxylamine is sourced from PubChem (CID 53427874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).