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

C10H11ClN4O — CID 91827947

IUPAC(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCN1C(=O)[C@@H]2CCCN2c2nc(Cl)ncc21
InChIInChI=1S/C10H11ClN4O/c1-14-7-5-12-10(11)13-8(7)15-4-2-3-6(15)9(14)16/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyQOBVGSJQFSUNLW-LURJTMIESA-N
MW238.68 g/mol
LogP1.08
Rot. Bonds

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

(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (PubChem CID 91827947) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
PubChem CID91827947
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCN1C(=O)[C@@H]2CCCN2c2nc(Cl)ncc21
InChIInChI=1S/C10H11ClN4O/c1-14-7-5-12-10(11)13-8(7)15-4-2-3-6(15)9(14)16/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyQOBVGSJQFSUNLW-LURJTMIESA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-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 (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (CID 91827947) is (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is CN1C(=O)[C@@H]2CCCN2c2nc(Cl)ncc21.
What is the InChIKey of (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The InChIKey is QOBVGSJQFSUNLW-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-14-7-5-12-10(11)13-8(7)15-4-2-3-6(15)9(14)16/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one has a molecular weight of 238.68 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 91827947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).