ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C14H15N7O3 — CID 112527924

IUPACethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2nc(N)c3ccccc32)nn1
InChIInChI=1S/C14H15N7O3/c1-2-24-14(23)16-11-7-20(19-17-11)8-12(22)21-10-6-4-3-5-9(10)13(15)18-21/h3-7H,2,8H2,1H3,(H2,15,18)(H,16,23)
InChIKeyOJBBNEKHFJIJKI-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.12
Rot. Bonds4

About ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112527924) has the molecular formula C14H15N7O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112527924
Molecular FormulaC14H15N7O3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Nameethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2nc(N)c3ccccc32)nn1
InChIInChI=1S/C14H15N7O3/c1-2-24-14(23)16-11-7-20(19-17-11)8-12(22)21-10-6-4-3-5-9(10)13(15)18-21/h3-7H,2,8H2,1H3,(H2,15,18)(H,16,23)
InChIKeyOJBBNEKHFJIJKI-UHFFFAOYSA-N
XLogP1.12
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527934
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525063
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
ethyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526673
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524664
ethyl N-[1-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524316
ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
methyl N-[1-[2-(4-amino-3-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525149

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112527924) is ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cn(CC(=O)n2nc(N)c3ccccc32)nn1.
What is the InChIKey of ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is OJBBNEKHFJIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3/c1-2-24-14(23)16-11-7-20(19-17-11)8-12(22)21-10-6-4-3-5-9(10)13(15)18-21/h3-7H,2,8H2,1H3,(H2,15,18)(H,16,23).
What are the key properties of ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 329.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).