4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide

C15H19N7O2 — CID 136715580

IUPAC4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(C(=O)N/N=C\c2ccc(O)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19N7O2/c1-21(2)14-17-12(18-15(19-14)22(3)4)13(24)20-16-9-10-5-7-11(23)8-6-10/h5-9,23H,1-4H3,(H,20,24)/b16-9-
InChIKeyVZORTCMXIRKTGJ-SXGWCWSVSA-N
MW329.36 g/mol
LogP0.47
Rot. Bonds5

About 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide

4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide (PubChem CID 136715580) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide
PubChem CID136715580
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(C(=O)N/N=C\c2ccc(O)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19N7O2/c1-21(2)14-17-12(18-15(19-14)22(3)4)13(24)20-16-9-10-5-7-11(23)8-6-10/h5-9,23H,1-4H3,(H,20,24)/b16-9-
InChIKeyVZORTCMXIRKTGJ-SXGWCWSVSA-N
XLogP0.47
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
CID 3659408
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647573
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide (CID 136715580) is 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide is CN(C)c1nc(C(=O)N/N=C\c2ccc(O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide?
The InChIKey is VZORTCMXIRKTGJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-21(2)14-17-12(18-15(19-14)22(3)4)13(24)20-16-9-10-5-7-11(23)8-6-10/h5-9,23H,1-4H3,(H,20,24)/b16-9-.
What are the key properties of 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide?
4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 136715580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).