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

C15H19N5O2 — CID 177356042

IUPACmolecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(-n2cc(N3CCC(=O)NC3=O)nn2)cc1.[H][H]
InChIInChI=1S/C15H17N5O2.H2/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);1H
InChIKeyWEZXUUFIMLCSSX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.08
Rot. Bonds3

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

molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 177356042) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Namemolecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID177356042
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Namemolecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(-n2cc(N3CCC(=O)NC3=O)nn2)cc1.[H][H]
InChIInChI=1S/C15H17N5O2.H2/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);1H
InChIKeyWEZXUUFIMLCSSX-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyltriazol-4-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxamide
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N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)triazol-4-yl]propanamide
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N-[3-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
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N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 137498606
N-[1-(4-fluorophenyl)triazol-4-yl]-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
CID 177735712
N-[3-(4-fluorophenyl)triazol-4-yl]-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
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N-[1-methyl-3-(4-methylphenyl)triazol-1-ium-4-yl]acetamide chloride
CID 134989784
1-(4-Cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea
CID 167941392
N-(1-isopropyl-1H-1,2,3-triazol-4-yl)-N'-[(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)methyl]urea
CID 118766860
N-[4-amino-1-(4-methylphenyl)pyrazol-3-yl]-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazine-1-carboxamide
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1-[3-[[5-(4-Propan-2-ylanilino)-1,2,4-triazin-3-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione (CID 177356042) is molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for molecular hydrogen;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.[H][H].
What is the InChIKey of molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WEZXUUFIMLCSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.H2/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);1H.
What are the key properties of molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione?
molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177356042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).