2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline

C11H15N5 — CID 62097935

IUPAC2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline
SMILESCCc1nnnn1-c1cc(C)c(C)cc1N
InChIInChI=1S/C11H15N5/c1-4-11-13-14-15-16(11)10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3
InChIKeyQXMIMTNJVLDDAO-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.42
Rot. Bonds2

About 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline

2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline (PubChem CID 62097935) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline
PubChem CID62097935
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline
SMILESCCc1nnnn1-c1cc(C)c(C)cc1N
InChIInChI=1S/C11H15N5/c1-4-11-13-14-15-16(11)10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3
InChIKeyQXMIMTNJVLDDAO-UHFFFAOYSA-N
XLogP1.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-2-(5-propyltetrazol-1-yl)aniline
CID 62098105
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
CID 62098270
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
5-fluoro-2-(5-propyltetrazol-1-yl)aniline
CID 62081162
4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 43617261
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
CID 107584067
3-amino-4-(5-propyltetrazol-1-yl)benzonitrile
CID 78965250
3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid
CID 62947580
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
N-[2-(5-ethyltetrazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 136526581

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline?
The IUPAC name of 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline (CID 62097935) is 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline.
What is the SMILES notation for 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline?
The canonical SMILES for 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline is CCc1nnnn1-c1cc(C)c(C)cc1N.
What is the InChIKey of 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline?
The InChIKey is QXMIMTNJVLDDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-11-13-14-15-16(11)10-6-8(3)7(2)5-9(10)12/h5-6H,4,12H2,1-3H3.
What are the key properties of 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline?
2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline has a molecular weight of 217.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline is sourced from PubChem (CID 62097935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).