1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol

C10H11N3O5 — CID 170818682

IUPAC1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
SMILESO=[N+]([O-])c1cccc2c(C(O)C(O)CO)[nH]nc12
InChIInChI=1S/C10H11N3O5/c14-4-7(15)10(16)9-5-2-1-3-6(13(17)18)8(5)11-12-9/h1-3,7,10,14-16H,4H2,(H,11,12)
InChIKeyARTPPRHVLKILPT-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.14
Rot. Bonds4

About 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol

1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol (PubChem CID 170818682) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
PubChem CID170818682
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
SMILESO=[N+]([O-])c1cccc2c(C(O)C(O)CO)[nH]nc12
InChIInChI=1S/C10H11N3O5/c14-4-7(15)10(16)9-5-2-1-3-6(13(17)18)8(5)11-12-9/h1-3,7,10,14-16H,4H2,(H,11,12)
InChIKeyARTPPRHVLKILPT-UHFFFAOYSA-N
XLogP-0.14
TPSA132.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
CID 169454030
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
4-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
CID 170484352
4-(7-nitro-2H-indazol-3-yl)but-3-enamide
CID 170798723
N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
CID 169466269
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730
1-(4-bromo-2-nitrophenyl)propane-1,2,3-triol
CID 170818974
1-nitronaphthalene;hydrate
CID 174470741
2-[(4-nitro-1,3-benzoxazol-2-yl)amino]butan-1-ol
CID 79880909
1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
CID 70911848
4,7-dinitro-2H-benzotriazole
CID 54319685

Frequently Asked Questions

What is the IUPAC name of 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol (CID 170818682) is 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol is O=[N+]([O-])c1cccc2c(C(O)C(O)CO)[nH]nc12.
What is the InChIKey of 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol?
The InChIKey is ARTPPRHVLKILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-4-7(15)10(16)9-5-2-1-3-6(13(17)18)8(5)11-12-9/h1-3,7,10,14-16H,4H2,(H,11,12).
What are the key properties of 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol?
1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol has a molecular weight of 253.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170818682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).