N,N-dimethyl-4-(pentazol-1-yl)aniline

C8H10N6 — CID 23279314

IUPACN,N-dimethyl-4-(pentazol-1-yl)aniline
SMILESCN(C)c1ccc(-n2nnnn2)cc1
InChIInChI=1S/C8H10N6/c1-13(2)7-3-5-8(6-4-7)14-11-9-10-12-14/h3-6H,1-2H3
InChIKeyOICBARXSRMXZPL-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.12
Rot. Bonds2

About N,N-dimethyl-4-(pentazol-1-yl)aniline

N,N-dimethyl-4-(pentazol-1-yl)aniline (PubChem CID 23279314) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N,N-dimethyl-4-(pentazol-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(pentazol-1-yl)aniline
PubChem CID23279314
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN,N-dimethyl-4-(pentazol-1-yl)aniline
SMILESCN(C)c1ccc(-n2nnnn2)cc1
InChIInChI=1S/C8H10N6/c1-13(2)7-3-5-8(6-4-7)14-11-9-10-12-14/h3-6H,1-2H3
InChIKeyOICBARXSRMXZPL-UHFFFAOYSA-N
XLogP0.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(pentazol-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(pentazol-1-yl)aniline (CID 23279314) is N,N-dimethyl-4-(pentazol-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(pentazol-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(pentazol-1-yl)aniline is CN(C)c1ccc(-n2nnnn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(pentazol-1-yl)aniline?
The InChIKey is OICBARXSRMXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-13(2)7-3-5-8(6-4-7)14-11-9-10-12-14/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(pentazol-1-yl)aniline?
N,N-dimethyl-4-(pentazol-1-yl)aniline has a molecular weight of 190.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(pentazol-1-yl)aniline is sourced from PubChem (CID 23279314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).