azane;1H-pteridin-2-one

C6H7N5O — CID 67883083

IUPACazane;1H-pteridin-2-one
SMILESN.O=c1ncc2nccnc2[nH]1
InChIInChI=1S/C6H4N4O.H3N/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);1H3
InChIKeyGLEFRQYZHZMYKJ-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.12
Rot. Bonds

About azane;1H-pteridin-2-one

azane;1H-pteridin-2-one (PubChem CID 67883083) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is azane;1H-pteridin-2-one.

Molecular Properties

Compound Nameazane;1H-pteridin-2-one
PubChem CID67883083
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Nameazane;1H-pteridin-2-one
SMILESN.O=c1ncc2nccnc2[nH]1
InChIInChI=1S/C6H4N4O.H3N/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);1H3
InChIKeyGLEFRQYZHZMYKJ-UHFFFAOYSA-N
XLogP-0.12
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;1H-pteridin-2-one?
The IUPAC name of azane;1H-pteridin-2-one (CID 67883083) is azane;1H-pteridin-2-one.
What is the SMILES notation for azane;1H-pteridin-2-one?
The canonical SMILES for azane;1H-pteridin-2-one is N.O=c1ncc2nccnc2[nH]1.
What is the InChIKey of azane;1H-pteridin-2-one?
The InChIKey is GLEFRQYZHZMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O.H3N/c11-6-9-3-4-5(10-6)8-2-1-7-4;/h1-3H,(H,8,9,10,11);1H3.
What are the key properties of azane;1H-pteridin-2-one?
azane;1H-pteridin-2-one has a molecular weight of 165.16 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-pteridin-2-one is sourced from PubChem (CID 67883083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).