3H-pteridin-4-one

C6H4N4O — CID 135460266

IUPAC3H-pteridin-4-one
SMILESO=c1[nH]cnc2nccnc12
InChIInChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)
InChIKeyUWWUXWWWOUNMKW-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.29
Rot. Bonds

About 3H-pteridin-4-one

3H-pteridin-4-one (PubChem CID 135460266) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 3H-pteridin-4-one.

Molecular Properties

Compound Name3H-pteridin-4-one
PubChem CID135460266
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name3H-pteridin-4-one
SMILESO=c1[nH]cnc2nccnc12
InChIInChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)
InChIKeyUWWUXWWWOUNMKW-UHFFFAOYSA-N
XLogP-0.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pterin
CID 135398660
Lumazine
CID 10250
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
6-Formylpterin
CID 135409352
6,7-Dimethyl-1H-pteridin-4-one
CID 135422471
1-Methyl-2,4(1H,3H)-pteridinedione
CID 556817
Aminopyrazine carboxamide
CID 280292
n-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide
CID 135447887
2-(Ethylsulfanyl)pteridin-4(1h)-one
CID 135518616
2-Mercaptopteridin-4-ol
CID 919948
Lcb-2183
CID 135418284
2-Pyrazinoylguanidine
CID 124704

Frequently Asked Questions

What is the IUPAC name of 3H-pteridin-4-one?
The IUPAC name of 3H-pteridin-4-one (CID 135460266) is 3H-pteridin-4-one.
What is the SMILES notation for 3H-pteridin-4-one?
The canonical SMILES for 3H-pteridin-4-one is O=c1[nH]cnc2nccnc12.
What is the InChIKey of 3H-pteridin-4-one?
The InChIKey is UWWUXWWWOUNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11).
What are the key properties of 3H-pteridin-4-one?
3H-pteridin-4-one has a molecular weight of 148.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pteridin-4-one is sourced from PubChem (CID 135460266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).