N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide

C8H17N7O2 — CID 76993802

IUPACN'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)c1nnnn1C
InChIInChI=1S/C8H17N7O2/c1-14-8(10-12-13-14)15(5-6-17-2)4-3-7(9)11-16/h16H,3-6H2,1-2H3,(H2,9,11)
InChIKeyMWZNZEAPIJECEZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP-1.20
Rot. Bonds7

About N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide (PubChem CID 76993802) has the molecular formula C8H17N7O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
PubChem CID76993802
Molecular FormulaC8H17N7O2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)c1nnnn1C
InChIInChI=1S/C8H17N7O2/c1-14-8(10-12-13-14)15(5-6-17-2)4-3-7(9)11-16/h16H,3-6H2,1-2H3,(H2,9,11)
InChIKeyMWZNZEAPIJECEZ-UHFFFAOYSA-N
XLogP-1.20
TPSA114.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-1.20
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-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide (CID 76993802) is N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide is COCCN(CCC(N)=NO)c1nnnn1C.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The InChIKey is MWZNZEAPIJECEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O2/c1-14-8(10-12-13-14)15(5-6-17-2)4-3-7(9)11-16/h16H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide has a molecular weight of 243.27 g/mol, XLogP of -1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 76993802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).