1-methyl-5H-pteridine-2,4,6-trione

C7H6N4O3 — CID 3521017

IUPAC1-methyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(=O)cnc21
InChIInChI=1S/C7H6N4O3/c1-11-5-4(6(13)10-7(11)14)9-3(12)2-8-5/h2H,1H3,(H,9,12)(H,10,13,14)
InChIKeyLZCOBTLZNBLUIK-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.69
Rot. Bonds

About 1-methyl-5H-pteridine-2,4,6-trione

1-methyl-5H-pteridine-2,4,6-trione (PubChem CID 3521017) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-methyl-5H-pteridine-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-5H-pteridine-2,4,6-trione
PubChem CID3521017
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name1-methyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(=O)cnc21
InChIInChI=1S/C7H6N4O3/c1-11-5-4(6(13)10-7(11)14)9-3(12)2-8-5/h2H,1H3,(H,9,12)(H,10,13,14)
InChIKeyLZCOBTLZNBLUIK-UHFFFAOYSA-N
XLogP-1.69
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-pteridine-2,4,6-trione?
The IUPAC name of 1-methyl-5H-pteridine-2,4,6-trione (CID 3521017) is 1-methyl-5H-pteridine-2,4,6-trione.
What is the SMILES notation for 1-methyl-5H-pteridine-2,4,6-trione?
The canonical SMILES for 1-methyl-5H-pteridine-2,4,6-trione is Cn1c(=O)[nH]c(=O)c2[nH]c(=O)cnc21.
What is the InChIKey of 1-methyl-5H-pteridine-2,4,6-trione?
The InChIKey is LZCOBTLZNBLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-11-5-4(6(13)10-7(11)14)9-3(12)2-8-5/h2H,1H3,(H,9,12)(H,10,13,14).
What are the key properties of 1-methyl-5H-pteridine-2,4,6-trione?
1-methyl-5H-pteridine-2,4,6-trione has a molecular weight of 194.15 g/mol, XLogP of -1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-pteridine-2,4,6-trione is sourced from PubChem (CID 3521017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).