6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione

C12H14N4O3 — CID 63261058

IUPAC6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC(CO)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c17-7-9(6-8-4-2-1-3-5-8)13-10-11(18)14-12(19)16-15-10/h1-5,9,17H,6-7H2,(H,13,15)(H2,14,16,18,19)
InChIKeyXMDIUDXYKMMAKP-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.53
Rot. Bonds5

About 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63261058) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63261058
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC(CO)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c17-7-9(6-8-4-2-1-3-5-8)13-10-11(18)14-12(19)16-15-10/h1-5,9,17H,6-7H2,(H,13,15)(H2,14,16,18,19)
InChIKeyXMDIUDXYKMMAKP-UHFFFAOYSA-N
XLogP-0.53
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136683245
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975643
6-(pentan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410688
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]methyl]benzoic acid
CID 60893712
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid
CID 43646810

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63261058) is 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC(CO)Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XMDIUDXYKMMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-7-9(6-8-4-2-1-3-5-8)13-10-11(18)14-12(19)16-15-10/h1-5,9,17H,6-7H2,(H,13,15)(H2,14,16,18,19).
What are the key properties of 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 262.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63261058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).