3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one

C13H14N6O — CID 154636541

IUPAC3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
SMILESCC(C)n1cnnc1-c1cccc(-n2cc[nH]c2=O)n1
InChIInChI=1S/C13H14N6O/c1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20/h3-9H,1-2H3,(H,14,20)
InChIKeyCEEVMIHSXCNKRP-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.40
Rot. Bonds3

About 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one

3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one (PubChem CID 154636541) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
PubChem CID154636541
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
SMILESCC(C)n1cnnc1-c1cccc(-n2cc[nH]c2=O)n1
InChIInChI=1S/C13H14N6O/c1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20/h3-9H,1-2H3,(H,14,20)
InChIKeyCEEVMIHSXCNKRP-UHFFFAOYSA-N
XLogP1.40
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one?
The IUPAC name of 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one (CID 154636541) is 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one is CC(C)n1cnnc1-c1cccc(-n2cc[nH]c2=O)n1.
What is the InChIKey of 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one?
The InChIKey is CEEVMIHSXCNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20/h3-9H,1-2H3,(H,14,20).
What are the key properties of 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one?
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one has a molecular weight of 270.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one is sourced from PubChem (CID 154636541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).