N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide

C7H16N6O — CID 176526586

IUPACN-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(\NC(N)=NN)N1CCOCC1
InChIInChI=1S/C7H16N6O/c1-10-7(11-6(8)12-9)13-2-4-14-5-3-13/h2-5,9H2,1H3,(H3,8,10,11,12)
InChIKeyRQSGDBXEEHDPOB-UHFFFAOYSA-N
MW200.25 g/mol
LogP-1.92
Rot. Bonds

About N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide

N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide (PubChem CID 176526586) has the molecular formula C7H16N6O and a molecular weight of 200.25 g/mol. Its IUPAC name is N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide
PubChem CID176526586
Molecular FormulaC7H16N6O
Molecular Weight200.25 g/mol
Exact Mass200.14
IUPAC NameN-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide
SMILESC/N=C(\NC(N)=NN)N1CCOCC1
InChIInChI=1S/C7H16N6O/c1-10-7(11-6(8)12-9)13-2-4-14-5-3-13/h2-5,9H2,1H3,(H3,8,10,11,12)
InChIKeyRQSGDBXEEHDPOB-UHFFFAOYSA-N
XLogP-1.92
TPSA101.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide?
The IUPAC name of N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide (CID 176526586) is N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide is C/N=C(\NC(N)=NN)N1CCOCC1.
What is the InChIKey of N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide?
The InChIKey is RQSGDBXEEHDPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O/c1-10-7(11-6(8)12-9)13-2-4-14-5-3-13/h2-5,9H2,1H3,(H3,8,10,11,12).
What are the key properties of N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide?
N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide has a molecular weight of 200.25 g/mol, XLogP of -1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamohydrazonoyl-N'-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 176526586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).