cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone

C10H16N6O — CID 166189559

IUPACcyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C10H16N6O/c17-10(8-1-2-8)16-5-3-15(4-6-16)7-9-11-13-14-12-9/h8H,1-7H2,(H,11,12,13,14)
InChIKeyBONVXLKWEKZEAB-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.75
Rot. Bonds3

About cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 166189559) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID166189559
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Namecyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C10H16N6O/c17-10(8-1-2-8)16-5-3-15(4-6-16)7-9-11-13-14-12-9/h8H,1-7H2,(H,11,12,13,14)
InChIKeyBONVXLKWEKZEAB-UHFFFAOYSA-N
XLogP-0.75
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde
CID 130590028
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
CID 154828822
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
CID 130935368
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
cyclopropyl-[4-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 155952128
cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196456

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone (CID 166189559) is cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2nn[nH]n2)CC1.
What is the InChIKey of cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is BONVXLKWEKZEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c17-10(8-1-2-8)16-5-3-15(4-6-16)7-9-11-13-14-12-9/h8H,1-7H2,(H,11,12,13,14).
What are the key properties of cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 236.28 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166189559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).