2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C12H22ClN7O — CID 119915232

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl
InChIInChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H
InChIKeyDOJTWLWOWAPQSP-UHFFFAOYSA-N
MW315.81 g/mol
LogP-0.71
Rot. Bonds5

About 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915232) has the molecular formula C12H22ClN7O and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915232
Molecular FormulaC12H22ClN7O
Molecular Weight315.81 g/mol
Exact Mass315.16
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl
InChIInChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H
InChIKeyDOJTWLWOWAPQSP-UHFFFAOYSA-N
XLogP-0.71
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915232) is 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is DOJTWLWOWAPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).