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

C11H22N8O — CID 77012292

IUPACN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(c2nnnn2C)CC1
InChIInChI=1S/C11H22N8O/c1-3-4-9(10(12)14-20)18-5-7-19(8-6-18)11-13-15-16-17(11)2/h9,20H,3-8H2,1-2H3,(H2,12,14)
InChIKeyBYSGZUNQQFFQQP-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.75
Rot. Bonds5

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

N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide (PubChem CID 77012292) has the molecular formula C11H22N8O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide
PubChem CID77012292
Molecular FormulaC11H22N8O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(c2nnnn2C)CC1
InChIInChI=1S/C11H22N8O/c1-3-4-9(10(12)14-20)18-5-7-19(8-6-18)11-13-15-16-17(11)2/h9,20H,3-8H2,1-2H3,(H2,12,14)
InChIKeyBYSGZUNQQFFQQP-UHFFFAOYSA-N
XLogP-0.75
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.75
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]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide (CID 77012292) is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide is CCCC(C(N)=NO)N1CCN(c2nnnn2C)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide?
The InChIKey is BYSGZUNQQFFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N8O/c1-3-4-9(10(12)14-20)18-5-7-19(8-6-18)11-13-15-16-17(11)2/h9,20H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide has a molecular weight of 282.35 g/mol, XLogP of -0.75, 5 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]pentanimidamide is sourced from PubChem (CID 77012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).