2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid

C15H21N7O2 — CID 143062943

IUPAC2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid
SMILESC=C(/N=N/c1ccc(/N=N/N(C)CC(=O)O)cc1)N(C)/C=C\NC
InChIInChI=1S/C15H21N7O2/c1-12(21(3)10-9-16-2)17-18-13-5-7-14(8-6-13)19-20-22(4)11-15(23)24/h5-10,16H,1,11H2,2-4H3,(H,23,24)/b10-9-,18-17+,20-19+
InChIKeySCIOSOTWYHGNCK-ZQIPUMJHSA-N
MW331.38 g/mol
LogP2.88
Rot. Bonds9

About 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid

2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid (PubChem CID 143062943) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid
PubChem CID143062943
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid
SMILESC=C(/N=N/c1ccc(/N=N/N(C)CC(=O)O)cc1)N(C)/C=C\NC
InChIInChI=1S/C15H21N7O2/c1-12(21(3)10-9-16-2)17-18-13-5-7-14(8-6-13)19-20-22(4)11-15(23)24/h5-10,16H,1,11H2,2-4H3,(H,23,24)/b10-9-,18-17+,20-19+
InChIKeySCIOSOTWYHGNCK-ZQIPUMJHSA-N
XLogP2.88
TPSA105.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid (CID 143062943) is 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid is C=C(/N=N/c1ccc(/N=N/N(C)CC(=O)O)cc1)N(C)/C=C\NC.
What is the InChIKey of 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid?
The InChIKey is SCIOSOTWYHGNCK-ZQIPUMJHSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-12(21(3)10-9-16-2)17-18-13-5-7-14(8-6-13)19-20-22(4)11-15(23)24/h5-10,16H,1,11H2,2-4H3,(H,23,24)/b10-9-,18-17+,20-19+.
What are the key properties of 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid?
2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid has a molecular weight of 331.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethenyldiazenyl]phenyl]diazenyl]amino]acetic acid is sourced from PubChem (CID 143062943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).