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

C12H15N5O3 — CID 62674249

IUPAC3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1cc(C)n2nc(C(=O)NCC(C)C(=O)O)nc2n1
InChIInChI=1S/C12H15N5O3/c1-6(11(19)20)5-13-10(18)9-15-12-14-7(2)4-8(3)17(12)16-9/h4,6H,5H2,1-3H3,(H,13,18)(H,19,20)
InChIKeyDVUYRUDJHBXION-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.19
Rot. Bonds4

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

3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62674249) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62674249
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1cc(C)n2nc(C(=O)NCC(C)C(=O)O)nc2n1
InChIInChI=1S/C12H15N5O3/c1-6(11(19)20)5-13-10(18)9-15-12-14-7(2)4-8(3)17(12)16-9/h4,6H,5H2,1-3H3,(H,13,18)(H,19,20)
InChIKeyDVUYRUDJHBXION-UHFFFAOYSA-N
XLogP0.19
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103769996
(2S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834336
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357607
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 110885459
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119526851
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
N-(3-aminopropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119408047
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103772937
N-(2-bromoprop-2-enyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47438895

Frequently Asked Questions

What is the IUPAC name of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid (CID 62674249) is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid is Cc1cc(C)n2nc(C(=O)NCC(C)C(=O)O)nc2n1.
What is the InChIKey of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is DVUYRUDJHBXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6(11(19)20)5-13-10(18)9-15-12-14-7(2)4-8(3)17(12)16-9/h4,6H,5H2,1-3H3,(H,13,18)(H,19,20).
What are the key properties of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid?
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62674249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).