(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one

C12H20N6O — CID 58405428

IUPAC(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(NN)nc2N1C(C)C
InChIInChI=1S/C12H20N6O/c1-5-8-11(19)17(4)9-6-14-12(16-13)15-10(9)18(8)7(2)3/h6-8H,5,13H2,1-4H3,(H,14,15,16)/t8-/m1/s1
InChIKeyNMYKXNKMZSBXTG-MRVPVSSYSA-N
MW264.33 g/mol
LogP0.73
Rot. Bonds3

About (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one

(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 58405428) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
PubChem CID58405428
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(NN)nc2N1C(C)C
InChIInChI=1S/C12H20N6O/c1-5-8-11(19)17(4)9-6-14-12(16-13)15-10(9)18(8)7(2)3/h6-8H,5,13H2,1-4H3,(H,14,15,16)/t8-/m1/s1
InChIKeyNMYKXNKMZSBXTG-MRVPVSSYSA-N
XLogP0.73
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one (CID 58405428) is (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(NN)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is NMYKXNKMZSBXTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-5-8-11(19)17(4)9-6-14-12(16-13)15-10(9)18(8)7(2)3/h6-8H,5,13H2,1-4H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 58405428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).