2-amino-8-azido-1,7-dihydropurin-6-one

C5H4N8O — CID 135406871

IUPAC2-amino-8-azido-1,7-dihydropurin-6-one
SMILES[N-]=[N+]=Nc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H4N8O/c6-4-9-2-1(3(14)11-4)8-5(10-2)12-13-7/h(H4,6,8,9,10,11,14)
InChIKeyDDSHZDINIJDYTA-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.17
Rot. Bonds1

About 2-amino-8-azido-1,7-dihydropurin-6-one

2-amino-8-azido-1,7-dihydropurin-6-one (PubChem CID 135406871) has the molecular formula C5H4N8O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-amino-8-azido-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-azido-1,7-dihydropurin-6-one
PubChem CID135406871
Molecular FormulaC5H4N8O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-amino-8-azido-1,7-dihydropurin-6-one
SMILES[N-]=[N+]=Nc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C5H4N8O/c6-4-9-2-1(3(14)11-4)8-5(10-2)12-13-7/h(H4,6,8,9,10,11,14)
InChIKeyDDSHZDINIJDYTA-UHFFFAOYSA-N
XLogP0.17
TPSA149.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-amino-8-[(E)-bis(2-chloroethyl)aminodiazenyl]-1,7-dihydropurin-6-one
CID 135580215
[4-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)diazenyl]phenyl]arsonic acid
CID 135470148
(2-amino-6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 135742599
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
CID 136680651
2-amino-8-(2,5-dibromothiophen-3-yl)-1,7-dihydropurin-6-one
CID 136766848
2-amino-8-(4-chlorophenyl)sulfanyl-1,7-dihydropurin-6-one
CID 135540455
2-amino-8-(1H-azepin-2-yl)-1,7-dihydropurin-6-one
CID 174490045

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-azido-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-azido-1,7-dihydropurin-6-one (CID 135406871) is 2-amino-8-azido-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-azido-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-azido-1,7-dihydropurin-6-one is [N-]=[N+]=Nc1nc2nc(N)[nH]c(=O)c2[nH]1.
What is the InChIKey of 2-amino-8-azido-1,7-dihydropurin-6-one?
The InChIKey is DDSHZDINIJDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N8O/c6-4-9-2-1(3(14)11-4)8-5(10-2)12-13-7/h(H4,6,8,9,10,11,14).
What are the key properties of 2-amino-8-azido-1,7-dihydropurin-6-one?
2-amino-8-azido-1,7-dihydropurin-6-one has a molecular weight of 192.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-azido-1,7-dihydropurin-6-one is sourced from PubChem (CID 135406871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).