2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid

C11H13N5O4 — CID 43357607

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1cc(C)n2nc(C(=O)NC(CO)C(=O)O)nc2n1
InChIInChI=1S/C11H13N5O4/c1-5-3-6(2)16-11(12-5)14-8(15-16)9(18)13-7(4-17)10(19)20/h3,7,17H,4H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyWNWQNPXJVNAEFB-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.08
Rot. Bonds4

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357607) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID43357607
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1cc(C)n2nc(C(=O)NC(CO)C(=O)O)nc2n1
InChIInChI=1S/C11H13N5O4/c1-5-3-6(2)16-11(12-5)14-8(15-16)9(18)13-7(4-17)10(19)20/h3,7,17H,4H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyWNWQNPXJVNAEFB-UHFFFAOYSA-N
XLogP-1.08
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 79246835
N-(4-hydroxybutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 81042943
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674249
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
5,7-dimethyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43016401
N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46529231
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
(2S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834336
5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103716416
N-[1-(hydroxymethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 62516858
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207162

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 43357607) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid is Cc1cc(C)n2nc(C(=O)NC(CO)C(=O)O)nc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is WNWQNPXJVNAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-5-3-6(2)16-11(12-5)14-8(15-16)9(18)13-7(4-17)10(19)20/h3,7,17H,4H2,1-2H3,(H,13,18)(H,19,20).
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 279.26 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).