3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H11N7O — CID 72925691

IUPAC3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCc3nnc4ccccn34)c12
InChIInChI=1S/C13H11N7O/c1-8-11-12(15-7-16-13(11)21-19-8)14-6-10-18-17-9-4-2-3-5-20(9)10/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyONISDLRJKBDFQI-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.58
Rot. Bonds3

About 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72925691) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72925691
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCc3nnc4ccccn34)c12
InChIInChI=1S/C13H11N7O/c1-8-11-12(15-7-16-13(11)21-19-8)14-6-10-18-17-9-4-2-3-5-20(9)10/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyONISDLRJKBDFQI-UHFFFAOYSA-N
XLogP1.58
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 165415063
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CID 153534231
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
8-[4-[(dimethylamino)methyl]phenyl]-N-(1,2-oxazol-3-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 137651012
N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46191142
US9884048, Example 117
CID 121416455
3-(1,3-Dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47040420
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 53500752
5-[[4-[(1,3-Dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 53500754
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72850747
3,5-Dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 75459841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72925691) is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NCc3nnc4ccccn34)c12.
What is the InChIKey of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ONISDLRJKBDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-8-11-12(15-7-16-13(11)21-19-8)14-6-10-18-17-9-4-2-3-5-20(9)10/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72925691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).