6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C17H23N6O2+ — CID 135722580

IUPAC6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C17H22N6O2/c1-12(19-21-17-18-16(24)13(2)20-22-17)15(14-6-4-3-5-7-14)23-8-10-25-11-9-23/h3-7,15H,8-11H2,1-2H3,(H2,18,21,22,24)/p+1/b19-12-/t15-/m0/s1
InChIKeyYJZZOPBPHQJPFB-CCRNYGKSSA-O
MW343.41 g/mol
LogP-0.08
Rot. Bonds5

About 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135722580) has the molecular formula C17H23N6O2+ and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135722580
Molecular FormulaC17H23N6O2+
Molecular Weight343.41 g/mol
Exact Mass343.19
IUPAC Name6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)[C@@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C17H22N6O2/c1-12(19-21-17-18-16(24)13(2)20-22-17)15(14-6-4-3-5-7-14)23-8-10-25-11-9-23/h3-7,15H,8-11H2,1-2H3,(H2,18,21,22,24)/p+1/b19-12-/t15-/m0/s1
InChIKeyYJZZOPBPHQJPFB-CCRNYGKSSA-O
XLogP-0.08
TPSA96.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 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) is 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is C/C(=N/Nc1nnc(C)c(=O)[nH]1)[C@@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is YJZZOPBPHQJPFB-CCRNYGKSSA-O. The full InChI is InChI=1S/C17H22N6O2/c1-12(19-21-17-18-16(24)13(2)20-22-17)15(14-6-4-3-5-7-14)23-8-10-25-11-9-23/h3-7,15H,8-11H2,1-2H3,(H2,18,21,22,24)/p+1/b19-12-/t15-/m0/s1.
What are the key properties of 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 343.41 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135722580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).