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

C12H14N4O — CID 135800050

IUPAC6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N[C@H](C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17)/t8-/m1/s1
InChIKeyGNOPNPLJPABZCQ-MRVPVSSYSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds3

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

6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one (PubChem CID 135800050) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
PubChem CID135800050
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N[C@H](C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17)/t8-/m1/s1
InChIKeyGNOPNPLJPABZCQ-MRVPVSSYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135795449
3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136683245
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135515938
6-methyl-3-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135402301
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135722580
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275090
3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
CID 121205925

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one (CID 135800050) is 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one is Cc1nnc(N[C@H](C)c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one?
The InChIKey is GNOPNPLJPABZCQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17)/t8-/m1/s1.
What are the key properties of 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one?
6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135800050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).