1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione

C15H17N5O2 — CID 177356043

IUPAC1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(-n2cc(N3CCC(=O)NC3=O)nn2)cc1
InChIInChI=1S/C15H17N5O2/c1-10(2)11-3-5-12(6-4-11)20-9-13(17-18-20)19-8-7-14(21)16-15(19)22/h3-6,9-10H,7-8H2,1-2H3,(H,16,21,22)
InChIKeyUPLVBFKMCRPBQR-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione

1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 177356043) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID177356043
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(-n2cc(N3CCC(=O)NC3=O)nn2)cc1
InChIInChI=1S/C15H17N5O2/c1-10(2)11-3-5-12(6-4-11)20-9-13(17-18-20)19-8-7-14(21)16-15(19)22/h3-6,9-10H,7-8H2,1-2H3,(H,16,21,22)
InChIKeyUPLVBFKMCRPBQR-UHFFFAOYSA-N
XLogP1.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
CID 177160752
1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116601
4-(1-bromoethyl)-1-(4-propan-2-ylphenyl)triazole
CID 81444887
4-tert-butyl-1-(4-propan-2-ylphenyl)triazole
CID 168749776
3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64956447
1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
CID 168752423
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione (CID 177356043) is 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione is CC(C)c1ccc(-n2cc(N3CCC(=O)NC3=O)nn2)cc1.
What is the InChIKey of 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is UPLVBFKMCRPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(2)11-3-5-12(6-4-11)20-9-13(17-18-20)19-8-7-14(21)16-15(19)22/h3-6,9-10H,7-8H2,1-2H3,(H,16,21,22).
What are the key properties of 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177356043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).