3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide

C11H18N6O — CID 123479770

IUPAC3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCOCC1
InChIInChI=1S/C11H18N6O/c1-8-6-11(16-15-8)14-9(12)7-10(13)17-2-4-18-5-3-17/h6,13H,2-5,7H2,1H3,(H3,12,14,15,16)/b13-10-
InChIKeyUQOAIJUYEKCKPP-RAXLEYEMSA-N
MW250.31 g/mol
LogP0.41
Rot. Bonds3

About 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide

3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide (PubChem CID 123479770) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound Name3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide
PubChem CID123479770
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCOCC1
InChIInChI=1S/C11H18N6O/c1-8-6-11(16-15-8)14-9(12)7-10(13)17-2-4-18-5-3-17/h6,13H,2-5,7H2,1H3,(H3,12,14,15,16)/b13-10-
InChIKeyUQOAIJUYEKCKPP-RAXLEYEMSA-N
XLogP0.41
TPSA103.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide?
The IUPAC name of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide (CID 123479770) is 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide?
The canonical SMILES for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCOCC1.
What is the InChIKey of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide?
The InChIKey is UQOAIJUYEKCKPP-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-6-11(16-15-8)14-9(12)7-10(13)17-2-4-18-5-3-17/h6,13H,2-5,7H2,1H3,(H3,12,14,15,16)/b13-10-.
What are the key properties of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide?
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide has a molecular weight of 250.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 123479770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).