N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide

C11H16N8O2 — CID 91304467

IUPACN'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide
SMILESCNc1cccc(OCC(N)=NN)c1OCc1nn[nH]n1
InChIInChI=1S/C11H16N8O2/c1-14-7-3-2-4-8(20-5-9(12)15-13)11(7)21-6-10-16-18-19-17-10/h2-4,14H,5-6,13H2,1H3,(H2,12,15)(H,16,17,18,19)
InChIKeyMULSCJCVGFFLQA-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.57
Rot. Bonds7

About N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide

N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide (PubChem CID 91304467) has the molecular formula C11H16N8O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide
PubChem CID91304467
Molecular FormulaC11H16N8O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide
SMILESCNc1cccc(OCC(N)=NN)c1OCc1nn[nH]n1
InChIInChI=1S/C11H16N8O2/c1-14-7-3-2-4-8(20-5-9(12)15-13)11(7)21-6-10-16-18-19-17-10/h2-4,14H,5-6,13H2,1H3,(H2,12,15)(H,16,17,18,19)
InChIKeyMULSCJCVGFFLQA-UHFFFAOYSA-N
XLogP-0.57
TPSA149.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide?
The IUPAC name of N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide (CID 91304467) is N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide.
What is the SMILES notation for N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide?
The canonical SMILES for N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide is CNc1cccc(OCC(N)=NN)c1OCc1nn[nH]n1.
What is the InChIKey of N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide?
The InChIKey is MULSCJCVGFFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O2/c1-14-7-3-2-4-8(20-5-9(12)15-13)11(7)21-6-10-16-18-19-17-10/h2-4,14H,5-6,13H2,1H3,(H2,12,15)(H,16,17,18,19).
What are the key properties of N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide?
N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide has a molecular weight of 292.30 g/mol, XLogP of -0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[3-(methylamino)-2-(2H-tetrazol-5-ylmethoxy)phenoxy]ethanimidamide is sourced from PubChem (CID 91304467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).