potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane

C12H25KN6 — CID 153358358

IUPACpotassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane
SMILESCC.[H]/N=C(\N)c1c(C)nn(CCCCN)c1[N-]C.[K+]
InChIInChI=1S/C10H19N6.C2H6.K/c1-7-8(9(12)13)10(14-2)16(15-7)6-4-3-5-11;1-2;/h3-6,11H2,1-2H3,(H3,12,13);1-2H3;/q-1;;+1
InChIKeyIBYLJFTUQSCMDY-UHFFFAOYSA-N
MW292.47 g/mol
LogP-1.12
Rot. Bonds6

About potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane

potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane (PubChem CID 153358358) has the molecular formula C12H25KN6 and a molecular weight of 292.47 g/mol. Its IUPAC name is potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane.

Molecular Properties

Compound Namepotassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane
PubChem CID153358358
Molecular FormulaC12H25KN6
Molecular Weight292.47 g/mol
Exact Mass292.18
IUPAC Namepotassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane
SMILESCC.[H]/N=C(\N)c1c(C)nn(CCCCN)c1[N-]C.[K+]
InChIInChI=1S/C10H19N6.C2H6.K/c1-7-8(9(12)13)10(14-2)16(15-7)6-4-3-5-11;1-2;/h3-6,11H2,1-2H3,(H3,12,13);1-2H3;/q-1;;+1
InChIKeyIBYLJFTUQSCMDY-UHFFFAOYSA-N
XLogP-1.12
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane?
The IUPAC name of potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane (CID 153358358) is potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane.
What is the SMILES notation for potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane?
The canonical SMILES for potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane is CC.[H]/N=C(\N)c1c(C)nn(CCCCN)c1[N-]C.[K+].
What is the InChIKey of potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane?
The InChIKey is IBYLJFTUQSCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N6.C2H6.K/c1-7-8(9(12)13)10(14-2)16(15-7)6-4-3-5-11;1-2;/h3-6,11H2,1-2H3,(H3,12,13);1-2H3;/q-1;;+1.
What are the key properties of potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane?
potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane has a molecular weight of 292.47 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane is sourced from PubChem (CID 153358358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).