3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H22N6O4 — CID 165418878

IUPAC3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)Cc2nnc(C3CCOCC3)n21
InChIInChI=1S/C16H22N6O4/c1-10-7-20(14(24)9-21-13(23)6-17-16(21)25)8-12-18-19-15(22(10)12)11-2-4-26-5-3-11/h10-11H,2-9H2,1H3,(H,17,25)/t10-/m0/s1
InChIKeyPWOZHJCMRKWRGG-JTQLQIEISA-N
MW362.39 g/mol
LogP-0.37
Rot. Bonds3

About 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 165418878) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID165418878
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)Cc2nnc(C3CCOCC3)n21
InChIInChI=1S/C16H22N6O4/c1-10-7-20(14(24)9-21-13(23)6-17-16(21)25)8-12-18-19-15(22(10)12)11-2-4-26-5-3-11/h10-11H,2-9H2,1H3,(H,17,25)/t10-/m0/s1
InChIKeyPWOZHJCMRKWRGG-JTQLQIEISA-N
XLogP-0.37
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 165418878) is 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)Cc2nnc(C3CCOCC3)n21.
What is the InChIKey of 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is PWOZHJCMRKWRGG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N6O4/c1-10-7-20(14(24)9-21-13(23)6-17-16(21)25)8-12-18-19-15(22(10)12)11-2-4-26-5-3-11/h10-11H,2-9H2,1H3,(H,17,25)/t10-/m0/s1.
What are the key properties of 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165418878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).