carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)

C12H22N4V — CID 18685220

IUPACcarbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)
SMILES[CH2-]c1cnc(C)n1CN1CCN(C)CC1.[CH3-].[V+2]
InChIInChI=1S/C11H19N4.CH3.V/c1-10-8-12-11(2)15(10)9-14-6-4-13(3)5-7-14;;/h8H,1,4-7,9H2,2-3H3;1H3;/q2*-1;+2
InChIKeySKTWZGUZTICUQX-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.03
Rot. Bonds2

About carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)

carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+) (PubChem CID 18685220) has the molecular formula C12H22N4V and a molecular weight of 273.28 g/mol. Its IUPAC name is carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+).

Molecular Properties

Compound Namecarbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)
PubChem CID18685220
Molecular FormulaC12H22N4V
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Namecarbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)
SMILES[CH2-]c1cnc(C)n1CN1CCN(C)CC1.[CH3-].[V+2]
InChIInChI=1S/C11H19N4.CH3.V/c1-10-8-12-11(2)15(10)9-14-6-4-13(3)5-7-14;;/h8H,1,4-7,9H2,2-3H3;1H3;/q2*-1;+2
InChIKeySKTWZGUZTICUQX-UHFFFAOYSA-N
XLogP1.03
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)?
The IUPAC name of carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+) (CID 18685220) is carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+).
What is the SMILES notation for carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)?
The canonical SMILES for carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+) is [CH2-]c1cnc(C)n1CN1CCN(C)CC1.[CH3-].[V+2].
What is the InChIKey of carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)?
The InChIKey is SKTWZGUZTICUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4.CH3.V/c1-10-8-12-11(2)15(10)9-14-6-4-13(3)5-7-14;;/h8H,1,4-7,9H2,2-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+)?
carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+) has a molecular weight of 273.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[(5-methanidyl-2-methylimidazol-1-yl)methyl]-4-methylpiperazine;vanadium(2+) is sourced from PubChem (CID 18685220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).