N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride

C15H22Cl2N6O — CID 119667427

IUPACN-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C15H21ClN6O.ClH/c1-2-3-4-13(9-17)18-14(23)10-22-20-15(19-21-22)11-5-7-12(16)8-6-11;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,23);1H
InChIKeyQTSFFZGLNDDBOK-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.05
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (PubChem CID 119667427) has the molecular formula C15H22Cl2N6O and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
PubChem CID119667427
Molecular FormulaC15H22Cl2N6O
Molecular Weight373.29 g/mol
Exact Mass372.12
IUPAC NameN-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C15H21ClN6O.ClH/c1-2-3-4-13(9-17)18-14(23)10-22-20-15(19-21-22)11-5-7-12(16)8-6-11;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,23);1H
InChIKeyQTSFFZGLNDDBOK-UHFFFAOYSA-N
XLogP2.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119665361
ethyl 3-(2-chlorophenyl)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 5295418
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
ethyl (3R)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-phenylpropanoate
CID 7330971
ethyl (3R)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 40774257
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (CID 119667427) is N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is CCCCC(CN)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The InChIKey is QTSFFZGLNDDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O.ClH/c1-2-3-4-13(9-17)18-14(23)10-22-20-15(19-21-22)11-5-7-12(16)8-6-11;/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride has a molecular weight of 373.29 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119667427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).