methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C9H11N7O3 — CID 112524664

IUPACmethyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)n2nccc2N)nn1
InChIInChI=1S/C9H11N7O3/c1-19-9(18)12-7-4-15(14-13-7)5-8(17)16-6(10)2-3-11-16/h2-4H,5,10H2,1H3,(H,12,18)
InChIKeyPIVYGANKFDEWHE-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.42
Rot. Bonds3

About methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112524664) has the molecular formula C9H11N7O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112524664
Molecular FormulaC9H11N7O3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Namemethyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)n2nccc2N)nn1
InChIInChI=1S/C9H11N7O3/c1-19-9(18)12-7-4-15(14-13-7)5-8(17)16-6(10)2-3-11-16/h2-4H,5,10H2,1H3,(H,12,18)
InChIKeyPIVYGANKFDEWHE-UHFFFAOYSA-N
XLogP-0.42
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[2-(4-amino-3-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525149
methyl N-[1-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526671
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527924
ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525063
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521611
methyl N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529072
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527007

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112524664) is methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cn(CC(=O)n2nccc2N)nn1.
What is the InChIKey of methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is PIVYGANKFDEWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O3/c1-19-9(18)12-7-4-15(14-13-7)5-8(17)16-6(10)2-3-11-16/h2-4H,5,10H2,1H3,(H,12,18).
What are the key properties of methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 265.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112524664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).