2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

C10H11ClN4O — CID 123520942

IUPAC2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCC12CCCN1c1nc(Cl)ncc1NC2=O
InChIInChI=1S/C10H11ClN4O/c1-10-3-2-4-15(10)7-6(13-8(10)16)5-12-9(11)14-7/h5H,2-4H2,1H3,(H,13,16)
InChIKeyYLXQGODYTCCISI-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.44
Rot. Bonds

About 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (PubChem CID 123520942) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
PubChem CID123520942
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCC12CCCN1c1nc(Cl)ncc1NC2=O
InChIInChI=1S/C10H11ClN4O/c1-10-3-2-4-15(10)7-6(13-8(10)16)5-12-9(11)14-7/h5H,2-4H2,1H3,(H,13,16)
InChIKeyYLXQGODYTCCISI-UHFFFAOYSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (CID 123520942) is 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is CC12CCCN1c1nc(Cl)ncc1NC2=O.
What is the InChIKey of 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The InChIKey is YLXQGODYTCCISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-10-3-2-4-15(10)7-6(13-8(10)16)5-12-9(11)14-7/h5H,2-4H2,1H3,(H,13,16).
What are the key properties of 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one has a molecular weight of 238.68 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 123520942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).