N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide

C8H16N8O — CID 77011817

IUPACN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
SMILESCn1nnnc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C8H16N8O/c1-14-8(10-12-13-14)16-4-2-15(3-5-16)6-7(9)11-17/h17H,2-6H2,1H3,(H2,9,11)
InChIKeyKVJVMLHCSICASV-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.92
Rot. Bonds3

About N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide (PubChem CID 77011817) has the molecular formula C8H16N8O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
PubChem CID77011817
Molecular FormulaC8H16N8O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
SMILESCn1nnnc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C8H16N8O/c1-14-8(10-12-13-14)16-4-2-15(3-5-16)6-7(9)11-17/h17H,2-6H2,1H3,(H2,9,11)
InChIKeyKVJVMLHCSICASV-UHFFFAOYSA-N
XLogP-1.92
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide (CID 77011817) is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide is Cn1nnnc1N1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide?
The InChIKey is KVJVMLHCSICASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N8O/c1-14-8(10-12-13-14)16-4-2-15(3-5-16)6-7(9)11-17/h17H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide has a molecular weight of 240.27 g/mol, XLogP of -1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).