7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H13N5O3 — CID 71563681

IUPAC7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C11H13N5O3/c1-7-8(9(17)18)6-12-10-13-11(14-16(7)10)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,17,18)
InChIKeyPHQHTYYPAMDHAE-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.03
Rot. Bonds2

About 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 71563681) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID71563681
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C11H13N5O3/c1-7-8(9(17)18)6-12-10-13-11(14-16(7)10)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,17,18)
InChIKeyPHQHTYYPAMDHAE-UHFFFAOYSA-N
XLogP-0.03
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
4-cycloheptylsulfanyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 68925255
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
CID 47000831
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
4-[4-(2-ethylsulfanyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
CID 50741376
4-[(3-chlorophenoxy)methyl]-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 75538620

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 71563681) is 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12.
What is the InChIKey of 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is PHQHTYYPAMDHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-8(9(17)18)6-12-10-13-11(14-16(7)10)15-2-4-19-5-3-15/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 71563681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).