6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one

C16H20N6O — CID 58405401

IUPAC6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
SMILESCCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O
InChIInChI=1S/C16H20N6O/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21/h7,9-11H,3-6,8H2,1-2H3
InChIKeyNEDKNKCNJWJFGG-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.78
Rot. Bonds2

About 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one

6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one (PubChem CID 58405401) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
PubChem CID58405401
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
SMILESCCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O
InChIInChI=1S/C16H20N6O/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21/h7,9-11H,3-6,8H2,1-2H3
InChIKeyNEDKNKCNJWJFGG-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The IUPAC name of 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one (CID 58405401) is 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one.
What is the SMILES notation for 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The canonical SMILES for 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one is CCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O.
What is the InChIKey of 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The InChIKey is NEDKNKCNJWJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one has a molecular weight of 312.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one is sourced from PubChem (CID 58405401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).