indazol-1-yl N-aminocarbamate

C8H8N4O2 — CID 174609066

IUPACindazol-1-yl N-aminocarbamate
SMILESNNC(=O)On1ncc2ccccc21
InChIInChI=1S/C8H8N4O2/c9-11-8(13)14-12-7-4-2-1-3-6(7)5-10-12/h1-5H,9H2,(H,11,13)
InChIKeyDNOXWDBOMNEPRY-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.05
Rot. Bonds1

About indazol-1-yl N-aminocarbamate

indazol-1-yl N-aminocarbamate (PubChem CID 174609066) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is indazol-1-yl N-aminocarbamate.

Molecular Properties

Compound Nameindazol-1-yl N-aminocarbamate
PubChem CID174609066
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Nameindazol-1-yl N-aminocarbamate
SMILESNNC(=O)On1ncc2ccccc21
InChIInChI=1S/C8H8N4O2/c9-11-8(13)14-12-7-4-2-1-3-6(7)5-10-12/h1-5H,9H2,(H,11,13)
InChIKeyDNOXWDBOMNEPRY-UHFFFAOYSA-N
XLogP0.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indazol-1-yl N-aminocarbamate?
The IUPAC name of indazol-1-yl N-aminocarbamate (CID 174609066) is indazol-1-yl N-aminocarbamate.
What is the SMILES notation for indazol-1-yl N-aminocarbamate?
The canonical SMILES for indazol-1-yl N-aminocarbamate is NNC(=O)On1ncc2ccccc21.
What is the InChIKey of indazol-1-yl N-aminocarbamate?
The InChIKey is DNOXWDBOMNEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-11-8(13)14-12-7-4-2-1-3-6(7)5-10-12/h1-5H,9H2,(H,11,13).
What are the key properties of indazol-1-yl N-aminocarbamate?
indazol-1-yl N-aminocarbamate has a molecular weight of 192.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indazol-1-yl N-aminocarbamate is sourced from PubChem (CID 174609066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).