azane;1,7-dihydropurin-6-one

C5H7N5O — CID 158320966

IUPACazane;1,7-dihydropurin-6-one
SMILESN.O=c1[nH]cnc2nc[nH]c12
InChIInChI=1S/C5H4N4O.H3N/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H3
InChIKeyGOVOJJNGSSBEAT-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.19
Rot. Bonds

About azane;1,7-dihydropurin-6-one

azane;1,7-dihydropurin-6-one (PubChem CID 158320966) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is azane;1,7-dihydropurin-6-one.

Molecular Properties

Compound Nameazane;1,7-dihydropurin-6-one
PubChem CID158320966
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Nameazane;1,7-dihydropurin-6-one
SMILESN.O=c1[nH]cnc2nc[nH]c12
InChIInChI=1S/C5H4N4O.H3N/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H3
InChIKeyGOVOJJNGSSBEAT-UHFFFAOYSA-N
XLogP-0.19
TPSA109.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,7-dihydropurin-6-one
CID 135546991
5-bromo-1H-pyrimidine-2,4-dione;1,7-dihydropurin-6-one
CID 174940134
3,5-dihydropteridine-4,6-dione
CID 135755313
1,7-dihydropurin-6-one;3,7-dihydropurin-2-one
CID 159116799
2-[4-(6-oxo-1,7-dihydropurin-2-yl)butyl]-1,7-dihydropurin-6-one
CID 137190272
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-methyl-1,7-dihydropurin-6-one
CID 135449674
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
CID 135997841
CID 135997841
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004

Frequently Asked Questions

What is the IUPAC name of azane;1,7-dihydropurin-6-one?
The IUPAC name of azane;1,7-dihydropurin-6-one (CID 158320966) is azane;1,7-dihydropurin-6-one.
What is the SMILES notation for azane;1,7-dihydropurin-6-one?
The canonical SMILES for azane;1,7-dihydropurin-6-one is N.O=c1[nH]cnc2nc[nH]c12.
What is the InChIKey of azane;1,7-dihydropurin-6-one?
The InChIKey is GOVOJJNGSSBEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O.H3N/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H3.
What are the key properties of azane;1,7-dihydropurin-6-one?
azane;1,7-dihydropurin-6-one has a molecular weight of 153.15 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,7-dihydropurin-6-one is sourced from PubChem (CID 158320966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).