2-amino-1-(1-methylindazol-4-yl)ethanone

C10H11N3O — CID 131191051

IUPAC2-amino-1-(1-methylindazol-4-yl)ethanone
SMILESCn1ncc2c(C(=O)CN)cccc21
InChIInChI=1S/C10H11N3O/c1-13-9-4-2-3-7(10(14)5-11)8(9)6-12-13/h2-4,6H,5,11H2,1H3
InChIKeyFTMNJNZIEYGAJT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-1-(1-methylindazol-4-yl)ethanone

2-amino-1-(1-methylindazol-4-yl)ethanone (PubChem CID 131191051) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-1-(1-methylindazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-methylindazol-4-yl)ethanone
PubChem CID131191051
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-1-(1-methylindazol-4-yl)ethanone
SMILESCn1ncc2c(C(=O)CN)cccc21
InChIInChI=1S/C10H11N3O/c1-13-9-4-2-3-7(10(14)5-11)8(9)6-12-13/h2-4,6H,5,11H2,1H3
InChIKeyFTMNJNZIEYGAJT-UHFFFAOYSA-N
XLogP0.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylindazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1-methylindazol-4-yl)ethanone (CID 131191051) is 2-amino-1-(1-methylindazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-methylindazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-methylindazol-4-yl)ethanone is Cn1ncc2c(C(=O)CN)cccc21.
What is the InChIKey of 2-amino-1-(1-methylindazol-4-yl)ethanone?
The InChIKey is FTMNJNZIEYGAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-9-4-2-3-7(10(14)5-11)8(9)6-12-13/h2-4,6H,5,11H2,1H3.
What are the key properties of 2-amino-1-(1-methylindazol-4-yl)ethanone?
2-amino-1-(1-methylindazol-4-yl)ethanone has a molecular weight of 189.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylindazol-4-yl)ethanone is sourced from PubChem (CID 131191051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).