potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide

C24H55KN12Na2O2+2 — CID 173103293

IUPACpotassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide
SMILESC#N.C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CNC.CO.[K+].[N-]=[N+]=[N-].[Na+].[Na+].c1c[nH]cn1
InChIInChI=1S/C5H11N.C4H10N2.C4H9NO.C4H9N.C3H4N2.C2H7N.CHN.CH4O.K.N3.2Na/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2;2*1-2;;1-3-2;;/h6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-3H,(H,4,5);3H,1-2H3;1H;2H,1H3;;;;/q;;;;;;;;+1;-1;2*+1
InChIKeyMFOMGZFFBQJJHK-UHFFFAOYSA-N
MW628.86 g/mol
LogP-8.21
Rot. Bonds

About potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide

potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide (PubChem CID 173103293) has the molecular formula C24H55KN12Na2O2+2 and a molecular weight of 628.86 g/mol. Its IUPAC name is potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide.

Molecular Properties

Compound Namepotassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide
PubChem CID173103293
Molecular FormulaC24H55KN12Na2O2+2
Molecular Weight628.86 g/mol
Exact Mass628.40
IUPAC Namepotassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide
SMILESC#N.C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CNC.CO.[K+].[N-]=[N+]=[N-].[Na+].[Na+].c1c[nH]cn1
InChIInChI=1S/C5H11N.C4H10N2.C4H9NO.C4H9N.C3H4N2.C2H7N.CHN.CH4O.K.N3.2Na/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2;2*1-2;;1-3-2;;/h6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-3H,(H,4,5);3H,1-2H3;1H;2H,1H3;;;;/q;;;;;;;;+1;-1;2*+1
InChIKeyMFOMGZFFBQJJHK-UHFFFAOYSA-N
XLogP-8.21
TPSA212.81 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 5-8.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1H-imidazole;morpholine;piperidine;pyridine
CID 174799644
1H-imidazole;morpholine;pyridine
CID 162047077
benzene;1H-imidazole;piperazine
CID 174316077
1,3-dioxolane;1H-imidazole
CID 66686307
1H-imidazole;piperidine;1H-pyrazole;pyridine;pyrimidine;pyrrolidine
CID 174886577
morpholine;pyrrolidine
CID 159577273
potassium 1H-imidazole
CID 18415043
1H-imidazole;piperazine;pyridine;urea
CID 175076318
dioxolane;1H-imidazole
CID 174466848
morpholine;piperidine;propane
CID 144636316
morpholine;oxane;piperidine
CID 143301989
1-oxa-4,16-diazacyclohenicosane
CID 66747485

Frequently Asked Questions

What is the IUPAC name of potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide?
The IUPAC name of potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide (CID 173103293) is potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide.
What is the SMILES notation for potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide?
The canonical SMILES for potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide is C#N.C1CCNC1.C1CCNCC1.C1CNCCN1.C1COCCN1.CNC.CO.[K+].[N-]=[N+]=[N-].[Na+].[Na+].c1c[nH]cn1.
What is the InChIKey of potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide?
The InChIKey is MFOMGZFFBQJJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H10N2.C4H9NO.C4H9N.C3H4N2.C2H7N.CHN.CH4O.K.N3.2Na/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2;2*1-2;;1-3-2;;/h6H,1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-3H,(H,4,5);3H,1-2H3;1H;2H,1H3;;;;/q;;;;;;;;+1;-1;2*+1.
What are the key properties of potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide?
potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide has a molecular weight of 628.86 g/mol, XLogP of -8.21, 0 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;formonitrile;1H-imidazole;methanol;N-methylmethanamine;morpholine;piperazine;piperidine;pyrrolidine;azide is sourced from PubChem (CID 173103293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).