5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C12H16N8O — CID 133487692

IUPAC5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1nc2ncnn2c(NCc2nc(N(C)C)no2)c1C
InChIInChI=1S/C12H16N8O/c1-7-8(2)16-11-14-6-15-20(11)10(7)13-5-9-17-12(18-21-9)19(3)4/h6,13H,5H2,1-4H3
InChIKeyJTUPVAXVMZIKTJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.80
Rot. Bonds4

About 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487692) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487692
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1nc2ncnn2c(NCc2nc(N(C)C)no2)c1C
InChIInChI=1S/C12H16N8O/c1-7-8(2)16-11-14-6-15-20(11)10(7)13-5-9-17-12(18-21-9)19(3)4/h6,13H,5H2,1-4H3
InChIKeyJTUPVAXVMZIKTJ-UHFFFAOYSA-N
XLogP0.80
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076767
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491662
5,6-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 84584512
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
5,6-dimethyl-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133347371
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
5-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487602
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70199948
N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
CID 133487722
5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487663

Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487692) is 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is Cc1nc2ncnn2c(NCc2nc(N(C)C)no2)c1C.
What is the InChIKey of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is JTUPVAXVMZIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O/c1-7-8(2)16-11-14-6-15-20(11)10(7)13-5-9-17-12(18-21-9)19(3)4/h6,13H,5H2,1-4H3.
What are the key properties of 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 288.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).