methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

C10H13N7O3 — CID 112524871

IUPACmethyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)Nc2ccnn2C)n1
InChIInChI=1S/C10H13N7O3/c1-16-8(3-4-11-16)14-9(18)6-17-12-5-7(15-17)13-10(19)20-2/h3-5H,6H2,1-2H3,(H,14,18)(H,13,15,19)
InChIKeyOESLIRZLUUYKDI-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.17
Rot. Bonds4

About methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112524871) has the molecular formula C10H13N7O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112524871
Molecular FormulaC10H13N7O3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Namemethyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)Nc2ccnn2C)n1
InChIInChI=1S/C10H13N7O3/c1-16-8(3-4-11-16)14-9(18)6-17-12-5-7(15-17)13-10(19)20-2/h3-5H,6H2,1-2H3,(H,14,18)(H,13,15,19)
InChIKeyOESLIRZLUUYKDI-UHFFFAOYSA-N
XLogP-0.17
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-[2-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524310
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
methyl N-[2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]triazol-4-yl]carbamate
CID 112530230
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112531448
methyl N-[2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529067
methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate
CID 112530564
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (CID 112524871) is methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cnn(CC(=O)Nc2ccnn2C)n1.
What is the InChIKey of methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is OESLIRZLUUYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3/c1-16-8(3-4-11-16)14-9(18)6-17-12-5-7(15-17)13-10(19)20-2/h3-5H,6H2,1-2H3,(H,14,18)(H,13,15,19).
What are the key properties of methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 279.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).