methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate

C10H11N5O3 — CID 43409090

IUPACmethyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C10H11N5O3/c1-6-3-4-11-10-13-8(14-15(6)10)9(17)12-5-7(16)18-2/h3-4H,5H2,1-2H3,(H,12,17)
InChIKeyKLGDEZQENQGRNT-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.66
Rot. Bonds3

About methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate

methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate (PubChem CID 43409090) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
PubChem CID43409090
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Namemethyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C10H11N5O3/c1-6-3-4-11-10-13-8(14-15(6)10)9(17)12-5-7(16)18-2/h3-4H,5H2,1-2H3,(H,12,17)
InChIKeyKLGDEZQENQGRNT-UHFFFAOYSA-N
XLogP-0.66
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
N,N-bis(2-methoxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78840756
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115699548
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 82009827
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51185265

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate (CID 43409090) is methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate?
The InChIKey is KLGDEZQENQGRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-3-4-11-10-13-8(14-15(6)10)9(17)12-5-7(16)18-2/h3-4H,5H2,1-2H3,(H,12,17).
What are the key properties of methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate?
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate has a molecular weight of 249.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 43409090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).