2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium

C14H23N6O5Tc- — CID 59895613

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium
SMILESO=C(O)CNC(CO)(CO)CO.[NH-]Nc1ccccn1.[Tc].c1c[nH]cn1
InChIInChI=1S/C6H13NO5.C5H6N3.C3H4N2.Tc/c8-2-6(3-9,4-10)7-1-5(11)12;6-8-5-3-1-2-4-7-5;1-2-5-3-4-1;/h7-10H,1-4H2,(H,11,12);1-4,6H,(H,7,8);1-3H,(H,4,5);/q;-1;;
InChIKeyRFOSZWBBTMRCOL-UHFFFAOYSA-N
MW453.38 g/mol
LogP-0.76
Rot. Bonds7

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium (PubChem CID 59895613) has the molecular formula C14H23N6O5Tc- and a molecular weight of 453.38 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium
PubChem CID59895613
Molecular FormulaC14H23N6O5Tc-
Molecular Weight453.38 g/mol
Exact Mass452.08
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium
SMILESO=C(O)CNC(CO)(CO)CO.[NH-]Nc1ccccn1.[Tc].c1c[nH]cn1
InChIInChI=1S/C6H13NO5.C5H6N3.C3H4N2.Tc/c8-2-6(3-9,4-10)7-1-5(11)12;6-8-5-3-1-2-4-7-5;1-2-5-3-4-1;/h7-10H,1-4H2,(H,11,12);1-4,6H,(H,7,8);1-3H,(H,4,5);/q;-1;;
InChIKeyRFOSZWBBTMRCOL-UHFFFAOYSA-N
XLogP-0.76
TPSA187.42 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 5-0.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-(1H-imidazol-2-yl)ethanesulfonic acid;1H-imidazole
CID 87564071
diphenylphosphane;1H-imidazole
CID 158285047
CID 144955277
CID 144955277
1H-imidazole;naphthalene
CID 66658955
bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid
CID 175204146
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
1H-imidazole;2H-isoindole
CID 172782455
benzene;1H-imidazole;hydrochloride
CID 162098896
bis(1H-imidazole);naphthalene-1,4,5,8-tetracarboxylic acid
CID 157436246
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium (CID 59895613) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium is O=C(O)CNC(CO)(CO)CO.[NH-]Nc1ccccn1.[Tc].c1c[nH]cn1.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium?
The InChIKey is RFOSZWBBTMRCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5.C5H6N3.C3H4N2.Tc/c8-2-6(3-9,4-10)7-1-5(11)12;6-8-5-3-1-2-4-7-5;1-2-5-3-4-1;/h7-10H,1-4H2,(H,11,12);1-4,6H,(H,7,8);1-3H,(H,4,5);/q;-1;;.
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium has a molecular weight of 453.38 g/mol, XLogP of -0.76, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;1H-imidazole;(pyridin-2-ylamino)azanide;technetium is sourced from PubChem (CID 59895613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).