2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride

C3H10BaN6O — CID 174721817

IUPAC2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride
SMILESNN(CCO)c1nn[nH]n1.[Ba+2].[H-].[H-]
InChIInChI=1S/C3H8N6O.Ba.2H/c4-9(1-2-10)3-5-7-8-6-3;;;/h10H,1-2,4H2,(H,5,6,7,8);;;/q;+2;2*-1
InChIKeyMVDAQTXFAJKDBD-UHFFFAOYSA-N
MW283.48 g/mol
LogP-2.28
Rot. Bonds3

About 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride

2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride (PubChem CID 174721817) has the molecular formula C3H10BaN6O and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride.

Molecular Properties

Compound Name2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride
PubChem CID174721817
Molecular FormulaC3H10BaN6O
Molecular Weight283.48 g/mol
Exact Mass284.00
IUPAC Name2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride
SMILESNN(CCO)c1nn[nH]n1.[Ba+2].[H-].[H-]
InChIInChI=1S/C3H8N6O.Ba.2H/c4-9(1-2-10)3-5-7-8-6-3;;;/h10H,1-2,4H2,(H,5,6,7,8);;;/q;+2;2*-1
InChIKeyMVDAQTXFAJKDBD-UHFFFAOYSA-N
XLogP-2.28
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-1-(2H-tetrazol-5-yl)hydrazine
CID 72950950
N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
CID 91335410
2-[methyl(2H-tetrazol-5-ylmethyl)amino]ethanol
CID 130161885
barium(2+);hydride;2H-tetrazol-5-amine
CID 173021575
N-ethenyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
CID 68503393
N-methyl-N-(propan-2-ylideneamino)-2H-tetrazol-5-amine
CID 90031759
sodium;hydride;2H-tetrazol-5-amine
CID 173196739
hydrogen peroxide;2H-tetrazol-5-amine
CID 87704631
bis(2H-tetrazol-5-yl)azanide
CID 136738403
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
bis(2H-tetrazol-5-yl)diazene;guanidine
CID 173025906
N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
CID 141001774

Frequently Asked Questions

What is the IUPAC name of 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride?
The IUPAC name of 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride (CID 174721817) is 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride.
What is the SMILES notation for 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride?
The canonical SMILES for 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride is NN(CCO)c1nn[nH]n1.[Ba+2].[H-].[H-].
What is the InChIKey of 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride?
The InChIKey is MVDAQTXFAJKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N6O.Ba.2H/c4-9(1-2-10)3-5-7-8-6-3;;;/h10H,1-2,4H2,(H,5,6,7,8);;;/q;+2;2*-1.
What are the key properties of 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride?
2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride has a molecular weight of 283.48 g/mol, XLogP of -2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride is sourced from PubChem (CID 174721817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).