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

C10H20N8O — CID 77012327

IUPACN'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide
SMILESCn1nnnc1N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C10H20N8O/c1-10(2,8(11)13-19)18-6-4-17(5-7-18)9-12-14-15-16(9)3/h19H,4-7H2,1-3H3,(H2,11,13)
InChIKeyIIKLFPCOLJXVOO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.14
Rot. Bonds3

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

N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide (PubChem CID 77012327) has the molecular formula C10H20N8O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide
PubChem CID77012327
Molecular FormulaC10H20N8O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide
SMILESCn1nnnc1N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C10H20N8O/c1-10(2,8(11)13-19)18-6-4-17(5-7-18)9-12-14-15-16(9)3/h19H,4-7H2,1-3H3,(H2,11,13)
InChIKeyIIKLFPCOLJXVOO-UHFFFAOYSA-N
XLogP-1.14
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.14
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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Related Compounds

2-Methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propan-1-amine
CID 63339662
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
CID 77011817
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide
CID 77012246
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]pentanimidamide
CID 77012292
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide
CID 77012363

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide (CID 77012327) is N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide is Cn1nnnc1N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide?
The InChIKey is IIKLFPCOLJXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N8O/c1-10(2,8(11)13-19)18-6-4-17(5-7-18)9-12-14-15-16(9)3/h19H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide has a molecular weight of 268.32 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).