N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H17N7O2 — CID 72908975

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCn1cnnc1CN(C)c1ncnc2onc(C)c12
InChIInChI=1S/C13H17N7O2/c1-9-11-12(14-7-15-13(11)22-18-9)19(2)6-10-17-16-8-20(10)4-5-21-3/h7-8H,4-6H2,1-3H3
InChIKeyIFIKBSVCAMTHSH-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.80
Rot. Bonds6

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72908975) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72908975
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCn1cnnc1CN(C)c1ncnc2onc(C)c12
InChIInChI=1S/C13H17N7O2/c1-9-11-12(14-7-15-13(11)22-18-9)19(2)6-10-17-16-8-20(10)4-5-21-3/h7-8H,4-6H2,1-3H3
InChIKeyIFIKBSVCAMTHSH-UHFFFAOYSA-N
XLogP0.80
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844641
2-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56898083
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126779509
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
CID 74243618
1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
CID 131915472
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 146042550
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72908975) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COCCn1cnnc1CN(C)c1ncnc2onc(C)c12.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IFIKBSVCAMTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2/c1-9-11-12(14-7-15-13(11)22-18-9)19(2)6-10-17-16-8-20(10)4-5-21-3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72908975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).