4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline

C15H24N6 — CID 139677792

IUPAC4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline
SMILESCCNc1ccc(-n2nnnc2CCN(CC)CC)cc1
InChIInChI=1S/C15H24N6/c1-4-16-13-7-9-14(10-8-13)21-15(17-18-19-21)11-12-20(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyMRHVVVPARFFIAZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.98
Rot. Bonds8

About 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline

4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline (PubChem CID 139677792) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline.

Molecular Properties

Compound Name4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline
PubChem CID139677792
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline
SMILESCCNc1ccc(-n2nnnc2CCN(CC)CC)cc1
InChIInChI=1S/C15H24N6/c1-4-16-13-7-9-14(10-8-13)21-15(17-18-19-21)11-12-20(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyMRHVVVPARFFIAZ-UHFFFAOYSA-N
XLogP1.98
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]aniline
CID 139677687
1-(4-iodophenyl)-5-propyltetrazole
CID 62081335
5-butyl-1-phenyltetrazole
CID 69031432
2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-ethyl-2-methoxy-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 123487323
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 87021490
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
CID 55989469
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline?
The IUPAC name of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline (CID 139677792) is 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline.
What is the SMILES notation for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline?
The canonical SMILES for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline is CCNc1ccc(-n2nnnc2CCN(CC)CC)cc1.
What is the InChIKey of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline?
The InChIKey is MRHVVVPARFFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-16-13-7-9-14(10-8-13)21-15(17-18-19-21)11-12-20(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline?
4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline has a molecular weight of 288.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline is sourced from PubChem (CID 139677792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).