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

C15H20Cl2N6O — CID 126777112

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCCC1
InChIInChI=1S/C15H19ClN6O.ClH/c16-12-5-3-11(4-6-12)14-19-21-22(20-14)9-13(23)18-15(10-17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,23);1H
InChIKeyUAOGBYZCPWCHED-UHFFFAOYSA-N
MW371.27 g/mol
LogP1.80
Rot. Bonds5

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

N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (PubChem CID 126777112) has the molecular formula C15H20Cl2N6O and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
PubChem CID126777112
Molecular FormulaC15H20Cl2N6O
Molecular Weight371.27 g/mol
Exact Mass370.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCCC1
InChIInChI=1S/C15H19ClN6O.ClH/c16-12-5-3-11(4-6-12)14-19-21-22(20-14)9-13(23)18-15(10-17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,23);1H
InChIKeyUAOGBYZCPWCHED-UHFFFAOYSA-N
XLogP1.80
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115878438
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30231157
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119667427
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119458083
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (CID 126777112) is N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is Cl.NCC1(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The InChIKey is UAOGBYZCPWCHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O.ClH/c16-12-5-3-11(4-6-12)14-19-21-22(20-14)9-13(23)18-15(10-17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,23);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride has a molecular weight of 371.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 126777112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).