3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one

C13H16N4O2 — CID 136683245

IUPAC3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N[C@@H](CO)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-9-12(19)15-13(17-16-9)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,15,17,19)/t11-/m1/s1
InChIKeySZMABDWTPRKUQG-LLVKDONJSA-N
MW260.30 g/mol
LogP0.49
Rot. Bonds5

About 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one

3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 136683245) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID136683245
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N[C@@H](CO)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-9-12(19)15-13(17-16-9)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,15,17,19)/t11-/m1/s1
InChIKeySZMABDWTPRKUQG-LLVKDONJSA-N
XLogP0.49
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one with MolForge

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Related Compounds

6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63261058
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975643
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methylbenzoic acid
CID 107112184
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
CID 135454577
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135553323
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
CID 103294929
6-methyl-3-(2-phenylethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 135399067
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione
CID 90665606
3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
CID 135408845

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one (CID 136683245) is 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N[C@@H](CO)Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is SZMABDWTPRKUQG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-12(19)15-13(17-16-9)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,15,17,19)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one?
3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 260.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136683245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).