3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid

C11H13N5O4 — CID 81077352

IUPAC3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1cnc2ncnn2c1C)C(=O)O
InChIInChI=1S/C11H13N5O4/c1-6-7(3-12-11-13-5-14-16(6)11)9(17)15-8(4-20-2)10(18)19/h3,5,8H,4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZVOJHSQUZWNVQE-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.74
Rot. Bonds5

About 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid

3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 81077352) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID81077352
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1cnc2ncnn2c1C)C(=O)O
InChIInChI=1S/C11H13N5O4/c1-6-7(3-12-11-13-5-14-16(6)11)9(17)15-8(4-20-2)10(18)19/h3,5,8H,4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZVOJHSQUZWNVQE-UHFFFAOYSA-N
XLogP-0.74
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-hydroxy-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 107834119
N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106165499
N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 107155278
7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63819418
N-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585086
N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106289954
7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 82722092
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
CID 106671720
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81076607
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 79031004

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 81077352) is 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid is COCC(NC(=O)c1cnc2ncnn2c1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is ZVOJHSQUZWNVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-6-7(3-12-11-13-5-14-16(6)11)9(17)15-8(4-20-2)10(18)19/h3,5,8H,4H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?
3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 279.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81077352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).