4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine

C16H22N4 — CID 43617025

IUPAC4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C16H22N4/c1-19(2)13-9-7-12(8-10-13)18-15-5-4-6-16-14(15)11-17-20(16)3/h7-11,15,18H,4-6H2,1-3H3
InChIKeyBIYHDCWYJVZVPA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.98
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine (PubChem CID 43617025) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
PubChem CID43617025
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C16H22N4/c1-19(2)13-9-7-12(8-10-13)18-15-5-4-6-16-14(15)11-17-20(16)3/h7-11,15,18H,4-6H2,1-3H3
InChIKeyBIYHDCWYJVZVPA-UHFFFAOYSA-N
XLogP2.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254572
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 113234559
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-indazol-7-amine
CID 43731062
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine (CID 43617025) is 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCCc3c2cnn3C)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine?
The InChIKey is BIYHDCWYJVZVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(2)13-9-7-12(8-10-13)18-15-5-4-6-16-14(15)11-17-20(16)3/h7-11,15,18H,4-6H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 43617025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).