4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

C20H26N6 — CID 4610695

IUPAC4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCc1cccc(C)c1-n1nnnc1C(c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C20H26N6/c1-14-8-7-9-15(2)18(14)26-20(21-22-23-26)19(25(5)6)16-10-12-17(13-11-16)24(3)4/h7-13,19H,1-6H3
InChIKeyYSPDYIKFHNLQGF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.00
Rot. Bonds5

About 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (PubChem CID 4610695) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
PubChem CID4610695
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCc1cccc(C)c1-n1nnnc1C(c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C20H26N6/c1-14-8-7-9-15(2)18(14)26-20(21-22-23-26)19(25(5)6)16-10-12-17(13-11-16)24(3)4/h7-13,19H,1-6H3
InChIKeyYSPDYIKFHNLQGF-UHFFFAOYSA-N
XLogP3.00
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
8-Acetylenyl-1-methyl-6-phenyl-4h-s-triazolo[4,3-a][1,4]benzodiazepine
CID 21930934
(4S)-8-ethynyl-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 59535580
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
3-{[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 646213
3-{[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 649376
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)-methyl]-benzonitrile
CID 651969

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (CID 4610695) is 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is Cc1cccc(C)c1-n1nnnc1C(c1ccc(N(C)C)cc1)N(C)C.
What is the InChIKey of 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The InChIKey is YSPDYIKFHNLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-8-7-9-15(2)18(14)26-20(21-22-23-26)19(25(5)6)16-10-12-17(13-11-16)24(3)4/h7-13,19H,1-6H3.
What are the key properties of 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline has a molecular weight of 350.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 4610695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).