1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one

C11H19N5O — CID 176773903

IUPAC1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
SMILESCC(C)c1nc(N2CCNC2=O)nn1C(C)C
InChIInChI=1S/C11H19N5O/c1-7(2)9-13-10(14-16(9)8(3)4)15-6-5-12-11(15)17/h7-8H,5-6H2,1-4H3,(H,12,17)
InChIKeyFAPVPTMLNQXOSG-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.51
Rot. Bonds3

About 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one

1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one (PubChem CID 176773903) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
PubChem CID176773903
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
SMILESCC(C)c1nc(N2CCNC2=O)nn1C(C)C
InChIInChI=1S/C11H19N5O/c1-7(2)9-13-10(14-16(9)8(3)4)15-6-5-12-11(15)17/h7-8H,5-6H2,1-4H3,(H,12,17)
InChIKeyFAPVPTMLNQXOSG-UHFFFAOYSA-N
XLogP1.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one (CID 176773903) is 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one is CC(C)c1nc(N2CCNC2=O)nn1C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The InChIKey is FAPVPTMLNQXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)9-13-10(14-16(9)8(3)4)15-6-5-12-11(15)17/h7-8H,5-6H2,1-4H3,(H,12,17).
What are the key properties of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one has a molecular weight of 237.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 176773903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).