N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride

C12H17ClN8O — CID 119260350

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cnnn1)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H16N8O.ClH/c21-12(8-20-9-15-17-18-20)16-11-2-1-10(7-14-11)19-5-3-13-4-6-19;/h1-2,7,9,13H,3-6,8H2,(H,14,16,21);1H
InChIKeyOJZNBHZCRCBINC-UHFFFAOYSA-N
MW324.78 g/mol
LogP-0.46
Rot. Bonds4

About N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride

N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride (PubChem CID 119260350) has the molecular formula C12H17ClN8O and a molecular weight of 324.78 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
PubChem CID119260350
Molecular FormulaC12H17ClN8O
Molecular Weight324.78 g/mol
Exact Mass324.12
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cnnn1)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H16N8O.ClH/c21-12(8-20-9-15-17-18-20)16-11-2-1-10(7-14-11)19-5-3-13-4-6-19;/h1-2,7,9,13H,3-6,8H2,(H,14,16,21);1H
InChIKeyOJZNBHZCRCBINC-UHFFFAOYSA-N
XLogP-0.46
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119494266
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
CID 119494536
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
1-ethyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopentane-1-carboxamide
CID 119494433
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 119494193
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride (CID 119260350) is N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride is Cl.O=C(Cn1cnnn1)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The InChIKey is OJZNBHZCRCBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O.ClH/c21-12(8-20-9-15-17-18-20)16-11-2-1-10(7-14-11)19-5-3-13-4-6-19;/h1-2,7,9,13H,3-6,8H2,(H,14,16,21);1H.
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride has a molecular weight of 324.78 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119260350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).