(2-diazenyl-5-methylphenyl)cyanamide

C8H8N4 — CID 134239280

IUPAC(2-diazenyl-5-methylphenyl)cyanamide
SMILES[H]/N=N/c1ccc(C)cc1NC#N
InChIInChI=1S/C8H8N4/c1-6-2-3-7(12-10)8(4-6)11-5-9/h2-4,10-11H,1H3/b12-10+
InChIKeyMKAUMMUBOLUSFI-ZRDIBKRKSA-N
MW160.18 g/mol
LogP2.55
Rot. Bonds2

About (2-diazenyl-5-methylphenyl)cyanamide

(2-diazenyl-5-methylphenyl)cyanamide (PubChem CID 134239280) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is (2-diazenyl-5-methylphenyl)cyanamide.

Molecular Properties

Compound Name(2-diazenyl-5-methylphenyl)cyanamide
PubChem CID134239280
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name(2-diazenyl-5-methylphenyl)cyanamide
SMILES[H]/N=N/c1ccc(C)cc1NC#N
InChIInChI=1S/C8H8N4/c1-6-2-3-7(12-10)8(4-6)11-5-9/h2-4,10-11H,1H3/b12-10+
InChIKeyMKAUMMUBOLUSFI-ZRDIBKRKSA-N
XLogP2.55
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-diazenyl-5-methyl-N-phenylaniline
CID 146593829
(2-iodo-4-methylphenyl)cyanamide
CID 54590722
N-(2-methanimidoyl-5-methylphenyl)ethanimine
CID 118350033
4-bromo-2-diazenyl-N-methylaniline
CID 149374593
ethane;(4-methylphenyl)cyanamide
CID 143199528
(2,5-dibromophenyl)cyanamide
CID 10540383
4-(2-methanimidoyl-4-methylanilino)butanenitrile
CID 144928821
(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
CID 91451182
N,5-dimethyl-2-(propan-2-ylideneamino)aniline
CID 137484218
N-(difluoromethyl)-2-methanimidoyl-4-methylaniline
CID 176988772
2-amino-5-methylbenzonitrile;ethane-1,2-diimine
CID 145012496
2-(2-cyanoethylsulfonyl)-N-(2,5-dimethylphenyl)acetamide
CID 82181488

Frequently Asked Questions

What is the IUPAC name of (2-diazenyl-5-methylphenyl)cyanamide?
The IUPAC name of (2-diazenyl-5-methylphenyl)cyanamide (CID 134239280) is (2-diazenyl-5-methylphenyl)cyanamide.
What is the SMILES notation for (2-diazenyl-5-methylphenyl)cyanamide?
The canonical SMILES for (2-diazenyl-5-methylphenyl)cyanamide is [H]/N=N/c1ccc(C)cc1NC#N.
What is the InChIKey of (2-diazenyl-5-methylphenyl)cyanamide?
The InChIKey is MKAUMMUBOLUSFI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C8H8N4/c1-6-2-3-7(12-10)8(4-6)11-5-9/h2-4,10-11H,1H3/b12-10+.
What are the key properties of (2-diazenyl-5-methylphenyl)cyanamide?
(2-diazenyl-5-methylphenyl)cyanamide has a molecular weight of 160.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazenyl-5-methylphenyl)cyanamide is sourced from PubChem (CID 134239280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).