4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one

C14H21N5O — CID 176926942

IUPAC4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one
SMILESCCc1nc(C(C)C)nc2c1NC(=O)C1CNCCN21
InChIInChI=1S/C14H21N5O/c1-4-9-11-13(18-12(16-9)8(2)3)19-6-5-15-7-10(19)14(20)17-11/h8,10,15H,4-7H2,1-3H3,(H,17,20)
InChIKeyQAPKWSDMIVEGQP-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.89
Rot. Bonds2

About 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one

4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one (PubChem CID 176926942) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one
PubChem CID176926942
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one
SMILESCCc1nc(C(C)C)nc2c1NC(=O)C1CNCCN21
InChIInChI=1S/C14H21N5O/c1-4-9-11-13(18-12(16-9)8(2)3)19-6-5-15-7-10(19)14(20)17-11/h8,10,15H,4-7H2,1-3H3,(H,17,20)
InChIKeyQAPKWSDMIVEGQP-UHFFFAOYSA-N
XLogP0.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one?
The IUPAC name of 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one (CID 176926942) is 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one?
The canonical SMILES for 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one is CCc1nc(C(C)C)nc2c1NC(=O)C1CNCCN21.
What is the InChIKey of 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one?
The InChIKey is QAPKWSDMIVEGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-9-11-13(18-12(16-9)8(2)3)19-6-5-15-7-10(19)14(20)17-11/h8,10,15H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one?
4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one has a molecular weight of 275.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-5,6a,7,8,9,10-hexahydropyrazino[2,1-h]pteridin-6-one is sourced from PubChem (CID 176926942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).