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

C15H24N6O2 — CID 167944494

IUPAC3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1nnc2n1CCN(CCCN1C(=O)CNC1=O)C2C
InChIInChI=1S/C15H24N6O2/c1-10(2)13-17-18-14-11(3)19(7-8-21(13)14)5-4-6-20-12(22)9-16-15(20)23/h10-11H,4-9H2,1-3H3,(H,16,23)
InChIKeyWYYYLRDLDKYBCX-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.72
Rot. Bonds5

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

3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione (PubChem CID 167944494) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
PubChem CID167944494
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1nnc2n1CCN(CCCN1C(=O)CNC1=O)C2C
InChIInChI=1S/C15H24N6O2/c1-10(2)13-17-18-14-11(3)19(7-8-21(13)14)5-4-6-20-12(22)9-16-15(20)23/h10-11H,4-9H2,1-3H3,(H,16,23)
InChIKeyWYYYLRDLDKYBCX-UHFFFAOYSA-N
XLogP0.72
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione (CID 167944494) is 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione is CC(C)c1nnc2n1CCN(CCCN1C(=O)CNC1=O)C2C.
What is the InChIKey of 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is WYYYLRDLDKYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10(2)13-17-18-14-11(3)19(7-8-21(13)14)5-4-6-20-12(22)9-16-15(20)23/h10-11H,4-9H2,1-3H3,(H,16,23).
What are the key properties of 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione?
3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 320.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167944494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).