(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride

C11H15ClN6OS — CID 119580143

IUPAC(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
SMILESCC1CN(C(=O)c2sccc2-n2cnnn2)CCN1.Cl
InChIInChI=1S/C11H14N6OS.ClH/c1-8-6-16(4-3-12-8)11(18)10-9(2-5-19-10)17-7-13-14-15-17;/h2,5,7-8,12H,3-4,6H2,1H3;1H
InChIKeyWLXMAGVBQKOQRR-UHFFFAOYSA-N
MW314.80 g/mol
LogP0.58
Rot. Bonds2

About (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride

(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride (PubChem CID 119580143) has the molecular formula C11H15ClN6OS and a molecular weight of 314.80 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
PubChem CID119580143
Molecular FormulaC11H15ClN6OS
Molecular Weight314.80 g/mol
Exact Mass314.07
IUPAC Name(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
SMILESCC1CN(C(=O)c2sccc2-n2cnnn2)CCN1.Cl
InChIInChI=1S/C11H14N6OS.ClH/c1-8-6-16(4-3-12-8)11(18)10-9(2-5-19-10)17-7-13-14-15-17;/h2,5,7-8,12H,3-4,6H2,1H3;1H
InChIKeyWLXMAGVBQKOQRR-UHFFFAOYSA-N
XLogP0.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
CID 66085870
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]-1,4-diazepan-2-one
CID 62898172
1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 56816838
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 103730581
ethyl (3S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 94117127
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580885
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 120745782
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride (CID 119580143) is (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride is CC1CN(C(=O)c2sccc2-n2cnnn2)CCN1.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride?
The InChIKey is WLXMAGVBQKOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS.ClH/c1-8-6-16(4-3-12-8)11(18)10-9(2-5-19-10)17-7-13-14-15-17;/h2,5,7-8,12H,3-4,6H2,1H3;1H.
What are the key properties of (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride?
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride has a molecular weight of 314.80 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119580143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).