1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine

C8H16N6O — CID 116515833

IUPAC1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine
SMILESCOCC/N=C(\NN)Nc1ccn(C)n1
InChIInChI=1S/C8H16N6O/c1-14-5-3-7(13-14)11-8(12-9)10-4-6-15-2/h3,5H,4,6,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyUXGVUHOEBRMQJZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.70
Rot. Bonds4

About 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine

1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine (PubChem CID 116515833) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine
PubChem CID116515833
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine
SMILESCOCC/N=C(\NN)Nc1ccn(C)n1
InChIInChI=1S/C8H16N6O/c1-14-5-3-7(13-14)11-8(12-9)10-4-6-15-2/h3,5H,4,6,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyUXGVUHOEBRMQJZ-UHFFFAOYSA-N
XLogP-0.70
TPSA89.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine?
The IUPAC name of 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine (CID 116515833) is 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine?
The canonical SMILES for 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine is COCC/N=C(\NN)Nc1ccn(C)n1.
What is the InChIKey of 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine?
The InChIKey is UXGVUHOEBRMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-14-5-3-7(13-14)11-8(12-9)10-4-6-15-2/h3,5H,4,6,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine?
1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine has a molecular weight of 212.26 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)guanidine is sourced from PubChem (CID 116515833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).