1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea

C19H21N7O2 — CID 162095536

IUPAC1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C)c1COc1ccc(-n2nccn2)cc1C
InChIInChI=1S/C19H21N7O2/c1-13-5-4-6-17(23-19(27)25(3)24-20)16(13)12-28-18-8-7-15(11-14(18)2)26-21-9-10-22-26/h4-11,20H,12H2,1-3H3,(H,23,27)/b24-20+
InChIKeyZEEWFSYYZIFRHI-HIXSDJFHSA-N
MW379.42 g/mol
LogP3.87
Rot. Bonds6

About 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea

1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea (PubChem CID 162095536) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea.

Molecular Properties

Compound Name1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea
PubChem CID162095536
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea
SMILES[H]/N=N/N(C)C(=O)Nc1cccc(C)c1COc1ccc(-n2nccn2)cc1C
InChIInChI=1S/C19H21N7O2/c1-13-5-4-6-17(23-19(27)25(3)24-20)16(13)12-28-18-8-7-15(11-14(18)2)26-21-9-10-22-26/h4-11,20H,12H2,1-3H3,(H,23,27)/b24-20+
InChIKeyZEEWFSYYZIFRHI-HIXSDJFHSA-N
XLogP3.87
TPSA108.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.87
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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Related Compounds

3-[3-chloro-2-[[4-(4-ethylpyrimidin-2-yl)-2-methylphenoxy]methyl]phenyl]-1-diazenyl-1-methylurea
CID 147688565
N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
CID 90192878
1-amino-3-[3-methoxy-2-[[2-methyl-4-(4-methylpyrazol-1-yl)phenoxy]methyl]phenyl]-1-methylurea
CID 129109863
1-amino-3-[2-[[4-(cyclopropanecarbonyl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-methylurea
CID 129109909
1-amino-1-methyl-3-[3-methyl-2-[[2-methyl-4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenoxy]methyl]phenyl]urea
CID 144659552
3-[5-cyclopropyl-4-[(2-methylphenoxy)methyl]-1H-pyrazol-3-yl]-1-diazenyl-1-methylurea
CID 137250692
3-[2-[[4-(4-chloro-2-pyridinyl)-2-methylphenyl]methoxy]-3-methylphenyl]-1-diazenyl-1-methylurea
CID 163767560
1-amino-3-[3-methoxy-2-[[2-methyl-4-(3-methyl-1,5-dihydropyrazol-2-yl)phenoxy]methyl]phenyl]-1-methylurea
CID 129109811
1-amino-3-[2-(methoxymethyl)-3-methylphenyl]-1-methylurea
CID 129110314
1-diazenyl-1-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]urea
CID 163985169
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate
CID 126587842
1-amino-1-methyl-3-[2-[(2-methylphenoxy)methyl]-3-methylsulfanylphenyl]urea
CID 144597668

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea?
The IUPAC name of 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea (CID 162095536) is 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea.
What is the SMILES notation for 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea?
The canonical SMILES for 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea is [H]/N=N/N(C)C(=O)Nc1cccc(C)c1COc1ccc(-n2nccn2)cc1C.
What is the InChIKey of 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea?
The InChIKey is ZEEWFSYYZIFRHI-HIXSDJFHSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-5-4-6-17(23-19(27)25(3)24-20)16(13)12-28-18-8-7-15(11-14(18)2)26-21-9-10-22-26/h4-11,20H,12H2,1-3H3,(H,23,27)/b24-20+.
What are the key properties of 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea?
1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea has a molecular weight of 379.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-1-methyl-3-[3-methyl-2-[[2-methyl-4-(triazol-2-yl)phenoxy]methyl]phenyl]urea is sourced from PubChem (CID 162095536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).