N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride

C13H20ClN5 — CID 3031895

IUPACN,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride
SMILESCCN(CC)C(C)c1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C13H19N5.ClH/c1-4-17(5-2)11(3)13-14-15-16-18(13)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H
InChIKeyJSNKEZSHZQDXNE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.49
Rot. Bonds5

About N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride

N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride (PubChem CID 3031895) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride
PubChem CID3031895
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC NameN,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride
SMILESCCN(CC)C(C)c1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C13H19N5.ClH/c1-4-17(5-2)11(3)13-14-15-16-18(13)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H
InChIKeyJSNKEZSHZQDXNE-UHFFFAOYSA-N
XLogP2.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-phenyl-1H-tetrazole
CID 95204
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
5-(chloromethyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 2793409
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
1-phenyl-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 710950

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride (CID 3031895) is N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride is CCN(CC)C(C)c1nnnn1-c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride?
The InChIKey is JSNKEZSHZQDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c1-4-17(5-2)11(3)13-14-15-16-18(13)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H.
What are the key properties of N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride?
N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3031895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).