N-(7H-purin-6-yl)hydroxylamine

C5H5N5O — CID 21876

IUPACN-(7H-purin-6-yl)hydroxylamine
SMILESONc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)
InChIKeyCBCQWVQNMGNYEO-UHFFFAOYSA-N
MW151.13 g/mol
LogP0.15
Rot. Bonds1

About N-(7H-purin-6-yl)hydroxylamine

N-(7H-purin-6-yl)hydroxylamine (PubChem CID 21876) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is N-(7H-purin-6-yl)hydroxylamine.

Molecular Properties

Compound NameN-(7H-purin-6-yl)hydroxylamine
PubChem CID21876
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC NameN-(7H-purin-6-yl)hydroxylamine
SMILESONc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)
InChIKeyCBCQWVQNMGNYEO-UHFFFAOYSA-N
XLogP0.15
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7H-purin-6-ylamino)methanol
CID 86209273
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-ethynyl-7H-purin-6-amine
CID 149150295
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091

Frequently Asked Questions

What is the IUPAC name of N-(7H-purin-6-yl)hydroxylamine?
The IUPAC name of N-(7H-purin-6-yl)hydroxylamine (CID 21876) is N-(7H-purin-6-yl)hydroxylamine.
What is the SMILES notation for N-(7H-purin-6-yl)hydroxylamine?
The canonical SMILES for N-(7H-purin-6-yl)hydroxylamine is ONc1ncnc2nc[nH]c12.
What is the InChIKey of N-(7H-purin-6-yl)hydroxylamine?
The InChIKey is CBCQWVQNMGNYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10).
What are the key properties of N-(7H-purin-6-yl)hydroxylamine?
N-(7H-purin-6-yl)hydroxylamine has a molecular weight of 151.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7H-purin-6-yl)hydroxylamine is sourced from PubChem (CID 21876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).