carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium

C59H110Fe3N9O6Y- — CID 162283431

IUPACcarbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C.C=C.CC.CC.CC.CCN1C(=O)N=NC1=O.O=C1N=NC(=O)N1CC1[CH-]CCC1.O=C1N=NC(=O)N1CCCC1[CH-]CCC1.[CH2-]CC1[CH-]CCC1.[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Y]
InChIInChI=1S/C10H14N3O2.C8H10N3O2.C7H12.3C5H10.C4H5N3O2.3C2H6.3C2H4.3CH3.3Fe.Y/c14-9-11-12-10(15)13(9)7-3-6-8-4-1-2-5-8;12-7-9-10-8(13)11(7)5-6-3-1-2-4-6;1-2-7-5-3-4-6-7;3*1-2-4-5-3-1;1-2-7-3(8)5-6-4(7)9;6*1-2;;;;;;;/h4,8H,1-3,5-7H2;3,6H,1-2,4-5H2;5,7H,1-4,6H2;3*1-5H2;2H2,1H3;3*1-2H3;3*1-2H2;3*1H3;;;;/q2*-1;-2;;;;;;;;;;;3*-1;3*+2;
InChIKeyDVQJWJHOJLPCRM-UHFFFAOYSA-N
MW1298.03 g/mol
LogP20.68
Rot. Bonds8

About carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium

carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium (PubChem CID 162283431) has the molecular formula C59H110Fe3N9O6Y- and a molecular weight of 1298.03 g/mol. Its IUPAC name is carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium.

Molecular Properties

Compound Namecarbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium
PubChem CID162283431
Molecular FormulaC59H110Fe3N9O6Y-
Molecular Weight1298.03 g/mol
Exact Mass1297.57
IUPAC Namecarbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C.C=C.CC.CC.CC.CCN1C(=O)N=NC1=O.O=C1N=NC(=O)N1CC1[CH-]CCC1.O=C1N=NC(=O)N1CCCC1[CH-]CCC1.[CH2-]CC1[CH-]CCC1.[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Y]
InChIInChI=1S/C10H14N3O2.C8H10N3O2.C7H12.3C5H10.C4H5N3O2.3C2H6.3C2H4.3CH3.3Fe.Y/c14-9-11-12-10(15)13(9)7-3-6-8-4-1-2-5-8;12-7-9-10-8(13)11(7)5-6-3-1-2-4-6;1-2-7-5-3-4-6-7;3*1-2-4-5-3-1;1-2-7-3(8)5-6-4(7)9;6*1-2;;;;;;;/h4,8H,1-3,5-7H2;3,6H,1-2,4-5H2;5,7H,1-4,6H2;3*1-5H2;2H2,1H3;3*1-2H3;3*1-2H2;3*1H3;;;;/q2*-1;-2;;;;;;;;;;;3*-1;3*+2;
InChIKeyDVQJWJHOJLPCRM-UHFFFAOYSA-N
XLogP20.68
TPSA186.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.03
LogP ≤ 520.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium?
The IUPAC name of carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium (CID 162283431) is carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium.
What is the SMILES notation for carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium?
The canonical SMILES for carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium is C1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C.C=C.CC.CC.CC.CCN1C(=O)N=NC1=O.O=C1N=NC(=O)N1CC1[CH-]CCC1.O=C1N=NC(=O)N1CCCC1[CH-]CCC1.[CH2-]CC1[CH-]CCC1.[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Y].
What is the InChIKey of carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium?
The InChIKey is DVQJWJHOJLPCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3O2.C8H10N3O2.C7H12.3C5H10.C4H5N3O2.3C2H6.3C2H4.3CH3.3Fe.Y/c14-9-11-12-10(15)13(9)7-3-6-8-4-1-2-5-8;12-7-9-10-8(13)11(7)5-6-3-1-2-4-6;1-2-7-5-3-4-6-7;3*1-2-4-5-3-1;1-2-7-3(8)5-6-4(7)9;6*1-2;;;;;;;/h4,8H,1-3,5-7H2;3,6H,1-2,4-5H2;5,7H,1-4,6H2;3*1-5H2;2H2,1H3;3*1-2H3;3*1-2H2;3*1H3;;;;/q2*-1;-2;;;;;;;;;;;3*-1;3*+2;.
What are the key properties of carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium?
carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium has a molecular weight of 1298.03 g/mol, XLogP of 20.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(cyclopentane);4-(cyclopentylmethyl)-1,2,4-triazole-3,5-dione;4-(3-cyclopentylpropyl)-1,2,4-triazole-3,5-dione;ethane;ethene;ethylcyclopentane;4-ethyl-1,2,4-triazole-3,5-dione;tris(iron(2+));yttrium is sourced from PubChem (CID 162283431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).