1,6,7-trimethylpteridin-4-one

C9H10N4O — CID 171383884

IUPAC1,6,7-trimethylpteridin-4-one
SMILESCc1nc2c(=O)ncn(C)c2nc1C
InChIInChI=1S/C9H10N4O/c1-5-6(2)12-8-7(11-5)9(14)10-4-13(8)3/h4H,1-3H3
InChIKeyZXGMVOKVDFRHGV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.34
Rot. Bonds

About 1,6,7-trimethylpteridin-4-one

1,6,7-trimethylpteridin-4-one (PubChem CID 171383884) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1,6,7-trimethylpteridin-4-one.

Molecular Properties

Compound Name1,6,7-trimethylpteridin-4-one
PubChem CID171383884
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1,6,7-trimethylpteridin-4-one
SMILESCc1nc2c(=O)ncn(C)c2nc1C
InChIInChI=1S/C9H10N4O/c1-5-6(2)12-8-7(11-5)9(14)10-4-13(8)3/h4H,1-3H3
InChIKeyZXGMVOKVDFRHGV-UHFFFAOYSA-N
XLogP0.34
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylpteridin-4-one?
The IUPAC name of 1,6,7-trimethylpteridin-4-one (CID 171383884) is 1,6,7-trimethylpteridin-4-one.
What is the SMILES notation for 1,6,7-trimethylpteridin-4-one?
The canonical SMILES for 1,6,7-trimethylpteridin-4-one is Cc1nc2c(=O)ncn(C)c2nc1C.
What is the InChIKey of 1,6,7-trimethylpteridin-4-one?
The InChIKey is ZXGMVOKVDFRHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-6(2)12-8-7(11-5)9(14)10-4-13(8)3/h4H,1-3H3.
What are the key properties of 1,6,7-trimethylpteridin-4-one?
1,6,7-trimethylpteridin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylpteridin-4-one is sourced from PubChem (CID 171383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).