hydron;pyrrolo[2,3-d]pyrimidin-4-one

C6H4N3O+ — CID 174548085

IUPAChydron;pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C1N=CN=C2N=CC=C12.[H+]
InChIInChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H/p+1
InChIKeyJJJQHTCJNMSSJV-UHFFFAOYSA-O
MW134.12 g/mol
LogP0.08
Rot. Bonds

About hydron;pyrrolo[2,3-d]pyrimidin-4-one

hydron;pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 174548085) has the molecular formula C6H4N3O+ and a molecular weight of 134.12 g/mol. Its IUPAC name is hydron;pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Namehydron;pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID174548085
Molecular FormulaC6H4N3O+
Molecular Weight134.12 g/mol
Exact Mass134.03
IUPAC Namehydron;pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C1N=CN=C2N=CC=C12.[H+]
InChIInChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H/p+1
InChIKeyJJJQHTCJNMSSJV-UHFFFAOYSA-O
XLogP0.08
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of hydron;pyrrolo[2,3-d]pyrimidin-4-one (CID 174548085) is hydron;pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for hydron;pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for hydron;pyrrolo[2,3-d]pyrimidin-4-one is O=C1N=CN=C2N=CC=C12.[H+].
What is the InChIKey of hydron;pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JJJQHTCJNMSSJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H/p+1.
What are the key properties of hydron;pyrrolo[2,3-d]pyrimidin-4-one?
hydron;pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 134.12 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 174548085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).