4-imino-1-methyl-8H-pteridin-7-one

C7H7N5O — CID 137180999

IUPAC4-imino-1-methyl-8H-pteridin-7-one
SMILES[H]/N=c1\ncn(C)c2[nH]c(=O)cnc12
InChIInChI=1S/C7H7N5O/c1-12-3-10-6(8)5-7(12)11-4(13)2-9-5/h2-3,8H,1H3,(H,11,13)/b8-6-
InChIKeyXKQMXGNAERJGST-VURMDHGXSA-N
MW177.17 g/mol
LogP-0.86
Rot. Bonds

About 4-imino-1-methyl-8H-pteridin-7-one

4-imino-1-methyl-8H-pteridin-7-one (PubChem CID 137180999) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-imino-1-methyl-8H-pteridin-7-one.

Molecular Properties

Compound Name4-imino-1-methyl-8H-pteridin-7-one
PubChem CID137180999
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name4-imino-1-methyl-8H-pteridin-7-one
SMILES[H]/N=c1\ncn(C)c2[nH]c(=O)cnc12
InChIInChI=1S/C7H7N5O/c1-12-3-10-6(8)5-7(12)11-4(13)2-9-5/h2-3,8H,1H3,(H,11,13)/b8-6-
InChIKeyXKQMXGNAERJGST-VURMDHGXSA-N
XLogP-0.86
TPSA87.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-imino-1-methyl-8H-pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methyl-8H-pteridin-7-one?
The IUPAC name of 4-imino-1-methyl-8H-pteridin-7-one (CID 137180999) is 4-imino-1-methyl-8H-pteridin-7-one.
What is the SMILES notation for 4-imino-1-methyl-8H-pteridin-7-one?
The canonical SMILES for 4-imino-1-methyl-8H-pteridin-7-one is [H]/N=c1\ncn(C)c2[nH]c(=O)cnc12.
What is the InChIKey of 4-imino-1-methyl-8H-pteridin-7-one?
The InChIKey is XKQMXGNAERJGST-VURMDHGXSA-N. The full InChI is InChI=1S/C7H7N5O/c1-12-3-10-6(8)5-7(12)11-4(13)2-9-5/h2-3,8H,1H3,(H,11,13)/b8-6-.
What are the key properties of 4-imino-1-methyl-8H-pteridin-7-one?
4-imino-1-methyl-8H-pteridin-7-one has a molecular weight of 177.17 g/mol, XLogP of -0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-8H-pteridin-7-one is sourced from PubChem (CID 137180999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).