2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline

C13H20N6 — CID 139677687

IUPAC2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline
SMILESCCN(CC)CCc1nnnn1-c1ccccc1N
InChIInChI=1S/C13H20N6/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyWYTBKARXNFAEKE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.13
Rot. Bonds6

About 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline

2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline (PubChem CID 139677687) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline.

Molecular Properties

Compound Name2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline
PubChem CID139677687
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline
SMILESCCN(CC)CCc1nnnn1-c1ccccc1N
InChIInChI=1S/C13H20N6/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyWYTBKARXNFAEKE-UHFFFAOYSA-N
XLogP1.13
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]phenol
CID 139677696
4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline
CID 139677792
5-fluoro-2-(5-propyltetrazol-1-yl)aniline
CID 62081162
4,5-dimethyl-2-(5-propyltetrazol-1-yl)aniline
CID 62098105
3-amino-4-(5-propyltetrazol-1-yl)benzonitrile
CID 78965250
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
CID 167209854
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline?
The IUPAC name of 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline (CID 139677687) is 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline.
What is the SMILES notation for 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline?
The canonical SMILES for 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline is CCN(CC)CCc1nnnn1-c1ccccc1N.
What is the InChIKey of 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline?
The InChIKey is WYTBKARXNFAEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-8-6-5-7-11(12)14/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline?
2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline has a molecular weight of 260.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline is sourced from PubChem (CID 139677687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).