copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate

C12H12CuN10O2 — CID 139149559

IUPACcopper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate
SMILESO.O.[Cu+2].c1ccc(-c2nn[n-]n2)nc1.c1ccc(-c2nn[n-]n2)nc1
InChIInChI=1S/2C6H4N5.Cu.2H2O/c2*1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-4H;;2*1H2/q2*-1;+2;;
InChIKeyUZRUNUHJESLKEG-UHFFFAOYSA-N
MW391.84 g/mol
LogP-1.87
Rot. Bonds2

About copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate

copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate (PubChem CID 139149559) has the molecular formula C12H12CuN10O2 and a molecular weight of 391.84 g/mol. Its IUPAC name is copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate.

Molecular Properties

Compound Namecopper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate
PubChem CID139149559
Molecular FormulaC12H12CuN10O2
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Namecopper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate
SMILESO.O.[Cu+2].c1ccc(-c2nn[n-]n2)nc1.c1ccc(-c2nn[n-]n2)nc1
InChIInChI=1S/2C6H4N5.Cu.2H2O/c2*1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-4H;;2*1H2/q2*-1;+2;;
InChIKeyUZRUNUHJESLKEG-UHFFFAOYSA-N
XLogP-1.87
TPSA194.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Methanone;osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 58788801
Methanone;osmium(4+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 155646357
2,6-Bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;platinum(2+);pyridine
CID 156661587
Pyridine, 2,2'-[1,3-propanediylbis(2H-tetrazole-2,5-diyl)]bis-
CID 12125071
tetrakis[mu-3,5-bis(2-pyridyl)-1,2,4-triazolido]bis[3,5-bis(2-pyridyl)-1,2,4-triazolido]dicopper(I)dicopper(II) dihydrate
CID 139060989
bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)
CID 139083719
Bis[5-(pyridin-2-yl-kappaN)tetrazolido-kappaN^1^]copper(II)
CID 139086591
Bis(2-(2-tert-butyltetrazol-5-yl)pyridine);copper(1+);tetrafluoroborate
CID 139159898
ZINC bis(2-pyrrol-1-id-2-ylpyridine)
CID 139181140
Dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate
CID 139207236
Diaqua[5-(2-pyridyl)tetrazolato-kappa^2^N^1^,N^5^]manganese(II)
CID 168309476
Diaquabis[5-(2-pyridyl)-1Htetrazolato-kappa^2^N^1^,N^5^]cobalt(II)
CID 168309603

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate?
The IUPAC name of copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate (CID 139149559) is copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate.
What is the SMILES notation for copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate?
The canonical SMILES for copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate is O.O.[Cu+2].c1ccc(-c2nn[n-]n2)nc1.c1ccc(-c2nn[n-]n2)nc1.
What is the InChIKey of copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate?
The InChIKey is UZRUNUHJESLKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N5.Cu.2H2O/c2*1-2-4-7-5(3-1)6-8-10-11-9-6;;;/h2*1-4H;;2*1H2/q2*-1;+2;;.
What are the key properties of copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate?
copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate has a molecular weight of 391.84 g/mol, XLogP of -1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine);dihydrate is sourced from PubChem (CID 139149559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).