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

C10H13N7O3 — CID 112525063

IUPACethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2cc(N)cn2)nn1
InChIInChI=1S/C10H13N7O3/c1-2-20-10(19)13-8-5-16(15-14-8)6-9(18)17-4-7(11)3-12-17/h3-5H,2,6,11H2,1H3,(H,13,19)
InChIKeyJEEUFQVSYKJCTP-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.03
Rot. Bonds4

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

ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112525063) has the molecular formula C10H13N7O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112525063
Molecular FormulaC10H13N7O3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Nameethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cn(CC(=O)n2cc(N)cn2)nn1
InChIInChI=1S/C10H13N7O3/c1-2-20-10(19)13-8-5-16(15-14-8)6-9(18)17-4-7(11)3-12-17/h3-5H,2,6,11H2,1H3,(H,13,19)
InChIKeyJEEUFQVSYKJCTP-UHFFFAOYSA-N
XLogP-0.03
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527924
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
methyl N-[1-[2-(4-amino-3-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525149
ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
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-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524316
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-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
ethyl N-[1-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112528965

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112525063) is ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cn(CC(=O)n2cc(N)cn2)nn1.
What is the InChIKey of ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is JEEUFQVSYKJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3/c1-2-20-10(19)13-8-5-16(15-14-8)6-9(18)17-4-7(11)3-12-17/h3-5H,2,6,11H2,1H3,(H,13,19).
What are the key properties of ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[1-[2-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 279.26 g/mol, XLogP of -0.03, 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-(4-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112525063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).