13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium

C14H17N3Y-2 — CID 167683847

IUPAC13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
SMILES[H]/[C-]=C1C(=[C-]/C)/CCCn2nc3c(c2/1)CNCC3.[Y]
InChIInChI=1S/C14H17N3.Y/c1-3-11-5-4-8-17-14(10(11)2)12-9-15-7-6-13(12)16-17;/h2,15H,4-9H2,1H3;/q-2;
InChIKeyQPEPJLYYMWUPDF-UHFFFAOYSA-N
MW316.22 g/mol
LogP1.89
Rot. Bonds

About 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium

13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium (PubChem CID 167683847) has the molecular formula C14H17N3Y-2 and a molecular weight of 316.22 g/mol. Its IUPAC name is 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium.

Molecular Properties

Compound Name13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
PubChem CID167683847
Molecular FormulaC14H17N3Y-2
Molecular Weight316.22 g/mol
Exact Mass316.05
IUPAC Name13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
SMILES[H]/[C-]=C1C(=[C-]/C)/CCCn2nc3c(c2/1)CNCC3.[Y]
InChIInChI=1S/C14H17N3.Y/c1-3-11-5-4-8-17-14(10(11)2)12-9-15-7-6-13(12)16-17;/h2,15H,4-9H2,1H3;/q-2;
InChIKeyQPEPJLYYMWUPDF-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
CID 155350244
14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155352887
13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155366696
4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 175767396
13-methyl-11-methylidene-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 146625494
3,4,7,8,9,10-hexahydro-2H-pyrazino[1,2-b]indazol-1-one
CID 44558568
3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-6-carboxylic acid
CID 171482209
1,1-difluoro-2-methoxyethane;14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155727961
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575
14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155352784
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154

Frequently Asked Questions

What is the IUPAC name of 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium?
The IUPAC name of 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium (CID 167683847) is 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium.
What is the SMILES notation for 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium?
The canonical SMILES for 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium is [H]/[C-]=C1C(=[C-]/C)/CCCn2nc3c(c2/1)CNCC3.[Y].
What is the InChIKey of 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium?
The InChIKey is QPEPJLYYMWUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.Y/c1-3-11-5-4-8-17-14(10(11)2)12-9-15-7-6-13(12)16-17;/h2,15H,4-9H2,1H3;/q-2;.
What are the key properties of 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium?
13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium has a molecular weight of 316.22 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium is sourced from PubChem (CID 167683847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).