N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline

C12H14N4 — CID 136656446

IUPACN,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline
SMILESCN(C)c1ccc(/N=N/c2ccc[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-16(2)11-7-5-10(6-8-11)14-15-12-4-3-9-13-12/h3-9,13H,1-2H3/b15-14+
InChIKeyYZOZWNLAKXCIQD-CCEZHUSRSA-N
MW214.27 g/mol
LogP3.50
Rot. Bonds3

About N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline

N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline (PubChem CID 136656446) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline
PubChem CID136656446
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline
SMILESCN(C)c1ccc(/N=N/c2ccc[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-16(2)11-7-5-10(6-8-11)14-15-12-4-3-9-13-12/h3-9,13H,1-2H3/b15-14+
InChIKeyYZOZWNLAKXCIQD-CCEZHUSRSA-N
XLogP3.50
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline?
The IUPAC name of N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline (CID 136656446) is N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline is CN(C)c1ccc(/N=N/c2ccc[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline?
The InChIKey is YZOZWNLAKXCIQD-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H14N4/c1-16(2)11-7-5-10(6-8-11)14-15-12-4-3-9-13-12/h3-9,13H,1-2H3/b15-14+.
What are the key properties of N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline?
N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline has a molecular weight of 214.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline is sourced from PubChem (CID 136656446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).