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

C10H20N8O — CID 77012246

IUPACN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H20N8O/c1-3-8(9(11)13-19)17-4-6-18(7-5-17)10-12-14-15-16(10)2/h8,19H,3-7H2,1-2H3,(H2,11,13)
InChIKeyGREYAJSAGWQDCZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.14
Rot. Bonds4

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

N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide (PubChem CID 77012246) has the molecular formula C10H20N8O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide
PubChem CID77012246
Molecular FormulaC10H20N8O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H20N8O/c1-3-8(9(11)13-19)17-4-6-18(7-5-17)10-12-14-15-16(10)2/h8,19H,3-7H2,1-2H3,(H2,11,13)
InChIKeyGREYAJSAGWQDCZ-UHFFFAOYSA-N
XLogP-1.14
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide (CID 77012246) is N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(c2nnnn2C)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide?
The InChIKey is GREYAJSAGWQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N8O/c1-3-8(9(11)13-19)17-4-6-18(7-5-17)10-12-14-15-16(10)2/h8,19H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]butanimidamide has a molecular weight of 268.32 g/mol, XLogP of -1.14, 4 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]butanimidamide is sourced from PubChem (CID 77012246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).