1,4-diaza-7-azanidacyclononane;yttrium

C6H14N3Y- — CID 153379590

IUPAC1,4-diaza-7-azanidacyclononane;yttrium
SMILESC1CNCCNCC[N-]1.[Y]
InChIInChI=1S/C6H14N3.Y/c1-2-8-5-6-9-4-3-7-1;/h7-8H,1-6H2;/q-1;
InChIKeyBURZVGCEISWWFI-UHFFFAOYSA-N
MW217.10 g/mol
LogP-0.45
Rot. Bonds

About 1,4-diaza-7-azanidacyclononane;yttrium

1,4-diaza-7-azanidacyclononane;yttrium (PubChem CID 153379590) has the molecular formula C6H14N3Y- and a molecular weight of 217.10 g/mol. Its IUPAC name is 1,4-diaza-7-azanidacyclononane;yttrium.

Molecular Properties

Compound Name1,4-diaza-7-azanidacyclononane;yttrium
PubChem CID153379590
Molecular FormulaC6H14N3Y-
Molecular Weight217.10 g/mol
Exact Mass217.03
IUPAC Name1,4-diaza-7-azanidacyclononane;yttrium
SMILESC1CNCCNCC[N-]1.[Y]
InChIInChI=1S/C6H14N3.Y/c1-2-8-5-6-9-4-3-7-1;/h7-8H,1-6H2;/q-1;
InChIKeyBURZVGCEISWWFI-UHFFFAOYSA-N
XLogP-0.45
TPSA38.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173283229
1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
CID 161028196
1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
CID 22113549
cobalt(3+);1,4,7,10,13,16-hexazacyclooctadecane;trichloride
CID 139063120
copper;1,4,7,10-tetrazacyclododecane;dichloride
CID 3045036
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
azanium;piperazine;chloride;dihydrochloride
CID 158242321
1-aza-5-azanidacyclooctane;carbanide;titanium(3+);trihydrochloride
CID 173283458
1,4,7-triazonane;pentahydrochloride
CID 75530446
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate
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Frequently Asked Questions

What is the IUPAC name of 1,4-diaza-7-azanidacyclononane;yttrium?
The IUPAC name of 1,4-diaza-7-azanidacyclononane;yttrium (CID 153379590) is 1,4-diaza-7-azanidacyclononane;yttrium.
What is the SMILES notation for 1,4-diaza-7-azanidacyclononane;yttrium?
The canonical SMILES for 1,4-diaza-7-azanidacyclononane;yttrium is C1CNCCNCC[N-]1.[Y].
What is the InChIKey of 1,4-diaza-7-azanidacyclononane;yttrium?
The InChIKey is BURZVGCEISWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3.Y/c1-2-8-5-6-9-4-3-7-1;/h7-8H,1-6H2;/q-1;.
What are the key properties of 1,4-diaza-7-azanidacyclononane;yttrium?
1,4-diaza-7-azanidacyclononane;yttrium has a molecular weight of 217.10 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaza-7-azanidacyclononane;yttrium is sourced from PubChem (CID 153379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).