3-azido-1-(1H-indazol-5-yl)propane-1,2-diol

C10H11N5O2 — CID 170826176

IUPAC3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N5O2/c11-15-13-5-9(16)10(17)6-1-2-8-7(3-6)4-12-14-8/h1-4,9-10,16-17H,5H2,(H,12,14)
InChIKeyWPSZNPKUNCMMIB-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.27
Rot. Bonds4

About 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol

3-azido-1-(1H-indazol-5-yl)propane-1,2-diol (PubChem CID 170826176) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
PubChem CID170826176
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N5O2/c11-15-13-5-9(16)10(17)6-1-2-8-7(3-6)4-12-14-8/h1-4,9-10,16-17H,5H2,(H,12,14)
InChIKeyWPSZNPKUNCMMIB-UHFFFAOYSA-N
XLogP1.27
TPSA117.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184
3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
CID 170832269
3-azido-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170825863
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
CID 171866255
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol (CID 170826176) is 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol?
The InChIKey is WPSZNPKUNCMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-15-13-5-9(16)10(17)6-1-2-8-7(3-6)4-12-14-8/h1-4,9-10,16-17H,5H2,(H,12,14).
What are the key properties of 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol?
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol has a molecular weight of 233.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(1H-indazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 170826176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).