1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride

C8H15ClN6O — CID 119260834

IUPAC1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)Cn2cnnn2)CCN1.Cl
InChIInChI=1S/C8H14N6O.ClH/c1-7-4-13(3-2-9-7)8(15)5-14-6-10-11-12-14;/h6-7,9H,2-5H2,1H3;1H
InChIKeyQDNJFUQQZWGIKY-UHFFFAOYSA-N
MW246.70 g/mol
LogP-1.08
Rot. Bonds2

About 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride

1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride (PubChem CID 119260834) has the molecular formula C8H15ClN6O and a molecular weight of 246.70 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
PubChem CID119260834
Molecular FormulaC8H15ClN6O
Molecular Weight246.70 g/mol
Exact Mass246.10
IUPAC Name1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)Cn2cnnn2)CCN1.Cl
InChIInChI=1S/C8H14N6O.ClH/c1-7-4-13(3-2-9-7)8(15)5-14-6-10-11-12-14;/h6-7,9H,2-5H2,1H3;1H
InChIKeyQDNJFUQQZWGIKY-UHFFFAOYSA-N
XLogP-1.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 63259244
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(tetrazol-1-yl)ethanone
CID 102679645
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 104974882
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
CID 119579540
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride (CID 119260834) is 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride is CC1CN(C(=O)Cn2cnnn2)CCN1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride?
The InChIKey is QDNJFUQQZWGIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O.ClH/c1-7-4-13(3-2-9-7)8(15)5-14-6-10-11-12-14;/h6-7,9H,2-5H2,1H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride?
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride has a molecular weight of 246.70 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119260834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).