potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane

C14H27KN6 — CID 145120242

IUPACpotassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane
SMILESCC.[H]/N=C(\N)c1c(C)nn(C2CCCN(C)C2)c1[N-]C.[K+]
InChIInChI=1S/C12H21N6.C2H6.K/c1-8-10(11(13)14)12(15-2)18(16-8)9-5-4-6-17(3)7-9;1-2;/h9H,4-7H2,1-3H3,(H3,13,14);1-2H3;/q-1;;+1
InChIKeyMQPSKRLHEGMLLG-UHFFFAOYSA-N
MW318.51 g/mol
LogP-0.59
Rot. Bonds3

About potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane

potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane (PubChem CID 145120242) has the molecular formula C14H27KN6 and a molecular weight of 318.51 g/mol. Its IUPAC name is potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane.

Molecular Properties

Compound Namepotassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane
PubChem CID145120242
Molecular FormulaC14H27KN6
Molecular Weight318.51 g/mol
Exact Mass318.19
IUPAC Namepotassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane
SMILESCC.[H]/N=C(\N)c1c(C)nn(C2CCCN(C)C2)c1[N-]C.[K+]
InChIInChI=1S/C12H21N6.C2H6.K/c1-8-10(11(13)14)12(15-2)18(16-8)9-5-4-6-17(3)7-9;1-2;/h9H,4-7H2,1-3H3,(H3,13,14);1-2H3;/q-1;;+1
InChIKeyMQPSKRLHEGMLLG-UHFFFAOYSA-N
XLogP-0.59
TPSA85.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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 potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane?
The IUPAC name of potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane (CID 145120242) is potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane.
What is the SMILES notation for potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane?
The canonical SMILES for potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane is CC.[H]/N=C(\N)c1c(C)nn(C2CCCN(C)C2)c1[N-]C.[K+].
What is the InChIKey of potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane?
The InChIKey is MQPSKRLHEGMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N6.C2H6.K/c1-8-10(11(13)14)12(15-2)18(16-8)9-5-4-6-17(3)7-9;1-2;/h9H,4-7H2,1-3H3,(H3,13,14);1-2H3;/q-1;;+1.
What are the key properties of potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane?
potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane has a molecular weight of 318.51 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[4-carbamimidoyl-3-methyl-1-(1-methylpiperidin-3-yl)pyrazol-5-yl]-methylazanide;ethane is sourced from PubChem (CID 145120242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).