2-(4-aminoindazol-1-yl)propan-2-yl formate

C11H13N3O2 — CID 174504219

IUPAC2-(4-aminoindazol-1-yl)propan-2-yl formate
SMILESCC(C)(OC=O)n1ncc2c(N)cccc21
InChIInChI=1S/C11H13N3O2/c1-11(2,16-7-15)14-10-5-3-4-9(12)8(10)6-13-14/h3-7H,12H2,1-2H3
InChIKeyFBUOEPHOYNLJGR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-aminoindazol-1-yl)propan-2-yl formate

2-(4-aminoindazol-1-yl)propan-2-yl formate (PubChem CID 174504219) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(4-aminoindazol-1-yl)propan-2-yl formate.

Molecular Properties

Compound Name2-(4-aminoindazol-1-yl)propan-2-yl formate
PubChem CID174504219
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(4-aminoindazol-1-yl)propan-2-yl formate
SMILESCC(C)(OC=O)n1ncc2c(N)cccc21
InChIInChI=1S/C11H13N3O2/c1-11(2,16-7-15)14-10-5-3-4-9(12)8(10)6-13-14/h3-7H,12H2,1-2H3
InChIKeyFBUOEPHOYNLJGR-UHFFFAOYSA-N
XLogP1.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoindazol-1-yl)propan-2-yl formate?
The IUPAC name of 2-(4-aminoindazol-1-yl)propan-2-yl formate (CID 174504219) is 2-(4-aminoindazol-1-yl)propan-2-yl formate.
What is the SMILES notation for 2-(4-aminoindazol-1-yl)propan-2-yl formate?
The canonical SMILES for 2-(4-aminoindazol-1-yl)propan-2-yl formate is CC(C)(OC=O)n1ncc2c(N)cccc21.
What is the InChIKey of 2-(4-aminoindazol-1-yl)propan-2-yl formate?
The InChIKey is FBUOEPHOYNLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,16-7-15)14-10-5-3-4-9(12)8(10)6-13-14/h3-7H,12H2,1-2H3.
What are the key properties of 2-(4-aminoindazol-1-yl)propan-2-yl formate?
2-(4-aminoindazol-1-yl)propan-2-yl formate has a molecular weight of 219.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoindazol-1-yl)propan-2-yl formate is sourced from PubChem (CID 174504219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).