[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide

C10H10N4 — CID 54248060

IUPAC[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide
SMILESCc1cc(C)c(NC#N)cc1NC#N
InChIInChI=1S/C10H10N4/c1-7-3-8(2)10(14-6-12)4-9(7)13-5-11/h3-4,13-14H,1-2H3
InChIKeyQUSGJXIGAHUQFY-UHFFFAOYSA-N
MW186.22 g/mol
LogP2.09
Rot. Bonds2

About [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide

[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide (PubChem CID 54248060) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide.

Molecular Properties

Compound Name[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide
PubChem CID54248060
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide
SMILESCc1cc(C)c(NC#N)cc1NC#N
InChIInChI=1S/C10H10N4/c1-7-3-8(2)10(14-6-12)4-9(7)13-5-11/h3-4,13-14H,1-2H3
InChIKeyQUSGJXIGAHUQFY-UHFFFAOYSA-N
XLogP2.09
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2-iodo-4-methylphenyl)cyanamide
CID 54590722
(2-bromo-4-methyl-5-nitrophenyl)cyanamide
CID 104815335
2-[(2,4,5-trimethylanilino)methylidene]propanedinitrile
CID 168543102
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
(2-chloro-4,6-dimethylphenyl)cyanamide
CID 117027810
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160
(2-diazenyl-5-methylphenyl)cyanamide
CID 134239280
(2,5-dibromophenyl)cyanamide
CID 10540383
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
(2,5-dimethoxyphenyl)cyanamide
CID 54806316
ethane;(4-methylphenyl)cyanamide
CID 143199528
3-methyl-2-[(2,4,5-trimethylanilino)methyl]butanenitrile
CID 115254260

Frequently Asked Questions

What is the IUPAC name of [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide?
The IUPAC name of [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide (CID 54248060) is [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide.
What is the SMILES notation for [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide?
The canonical SMILES for [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide is Cc1cc(C)c(NC#N)cc1NC#N.
What is the InChIKey of [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide?
The InChIKey is QUSGJXIGAHUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-7-3-8(2)10(14-6-12)4-9(7)13-5-11/h3-4,13-14H,1-2H3.
What are the key properties of [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide?
[5-(cyanoamino)-2,4-dimethylphenyl]cyanamide has a molecular weight of 186.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyanoamino)-2,4-dimethylphenyl]cyanamide is sourced from PubChem (CID 54248060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).