N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

C10H13N7O2 — CID 112521759

IUPACN-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2ncc(N)c2C)n1
InChIInChI=1S/C10H13N7O2/c1-6-8(11)3-13-17(6)10(19)5-16-12-4-9(15-16)14-7(2)18/h3-4H,5,11H2,1-2H3,(H,14,15,18)
InChIKeyYUWQIHFUODAGSR-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.34
Rot. Bonds3

About N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112521759) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112521759
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)n2ncc(N)c2C)n1
InChIInChI=1S/C10H13N7O2/c1-6-8(11)3-13-17(6)10(19)5-16-12-4-9(15-16)14-7(2)18/h3-4H,5,11H2,1-2H3,(H,14,15,18)
InChIKeyYUWQIHFUODAGSR-UHFFFAOYSA-N
XLogP-0.34
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526809
N-[2-[2-(7-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526659
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112527657
methyl N-[2-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529995
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
methyl 1-[2-(4-acetamidotriazol-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 112531510
1-(4-amino-5-methylpyrazol-1-yl)-4-(methylamino)butan-1-one
CID 83618122
4-[2-(4-acetamidotriazol-2-yl)acetyl]morpholine-3-carboxylic acid
CID 112532084
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112521759) is N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)n2ncc(N)c2C)n1.
What is the InChIKey of N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is YUWQIHFUODAGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-6-8(11)3-13-17(6)10(19)5-16-12-4-9(15-16)14-7(2)18/h3-4H,5,11H2,1-2H3,(H,14,15,18).
What are the key properties of N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 263.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-amino-5-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112521759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).