N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide

C19H27N7O — CID 111728275

IUPACN'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2cncn2)cc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H27N7O/c1-20-19(25-7-6-18(13-25)24-8-10-27-11-9-24)22-12-16-2-4-17(5-3-16)26-15-21-14-23-26/h2-5,14-15,18H,6-13H2,1H3,(H,20,22)
InChIKeyBPZDFHIWSZWLNB-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.75
Rot. Bonds4

About N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide

N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 111728275) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
PubChem CID111728275
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2cncn2)cc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H27N7O/c1-20-19(25-7-6-18(13-25)24-8-10-27-11-9-24)22-12-16-2-4-17(5-3-16)26-15-21-14-23-26/h2-5,14-15,18H,6-13H2,1H3,(H,20,22)
InChIKeyBPZDFHIWSZWLNB-UHFFFAOYSA-N
XLogP0.75
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111724138
4-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111726300
N,N-dimethyl-4-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111727786
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727028
N-[(3-fluoro-4-methylphenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726634
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727056
N-[(3-fluorophenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727014
N-[[3-(diethylaminomethyl)phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726377
N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111728499
N-[[3-(dimethylamino)phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727013
N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728590
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727898

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide (CID 111728275) is N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide is C/N=C(\NCc1ccc(-n2cncn2)cc1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is BPZDFHIWSZWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-20-19(25-7-6-18(13-25)24-8-10-27-11-9-24)22-12-16-2-4-17(5-3-16)26-15-21-14-23-26/h2-5,14-15,18H,6-13H2,1H3,(H,20,22).
What are the key properties of N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide?
N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-morpholin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).