carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)

C30H45N10V5-5 — CID 160759866

IUPACcarbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)
SMILESCc1cccnn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/5C5H6N2.5CH3.5V/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;;;;;;;;;;/h5*2-4H,1H3;5*1H3;;;;;/q;;;;;5*-1;;;;;
InChIKeyRJPLHINWQFGJBE-UHFFFAOYSA-N
MW800.48 g/mol
LogP6.16
Rot. Bonds

About carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)

carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium) (PubChem CID 160759866) has the molecular formula C30H45N10V5-5 and a molecular weight of 800.48 g/mol. Its IUPAC name is carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium).

Molecular Properties

Compound Namecarbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)
PubChem CID160759866
Molecular FormulaC30H45N10V5-5
Molecular Weight800.48 g/mol
Exact Mass800.11
IUPAC Namecarbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)
SMILESCc1cccnn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/5C5H6N2.5CH3.5V/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;;;;;;;;;;/h5*2-4H,1H3;5*1H3;;;;;/q;;;;;5*-1;;;;;
InChIKeyRJPLHINWQFGJBE-UHFFFAOYSA-N
XLogP6.16
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 157260793
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 160922898
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methyltetrazine;4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 159257431
1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methylpyrrole;1-methyl-1,2,4-triazole
CID 159023055
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)?
The IUPAC name of carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium) (CID 160759866) is carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium).
What is the SMILES notation for carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)?
The canonical SMILES for carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium) is Cc1cccnn1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnc1.Cc1ncccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].
What is the InChIKey of carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)?
The InChIKey is RJPLHINWQFGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C5H6N2.5CH3.5V/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;;;;;;;;;;/h5*2-4H,1H3;5*1H3;;;;;/q;;;;;5*-1;;;;;.
What are the key properties of carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium)?
carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium) has a molecular weight of 800.48 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;pentakis(vanadium) is sourced from PubChem (CID 160759866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).