N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H13N7O — CID 133355640

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2[nH]ncc12)c1noc(C)n1
InChIInChI=1S/C11H13N7O/c1-3-8(11-15-6(2)19-18-11)16-9-7-4-14-17-10(7)13-5-12-9/h4-5,8H,3H2,1-2H3,(H2,12,13,14,16,17)
InChIKeyRJIWSCNAJXQVGD-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.61
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133355640) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133355640
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2[nH]ncc12)c1noc(C)n1
InChIInChI=1S/C11H13N7O/c1-3-8(11-15-6(2)19-18-11)16-9-7-4-14-17-10(7)13-5-12-9/h4-5,8H,3H2,1-2H3,(H2,12,13,14,16,17)
InChIKeyRJIWSCNAJXQVGD-UHFFFAOYSA-N
XLogP1.61
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011918
1-butyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011921
1-tert-butyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011923
2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone
CID 18292167
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,1-dimethyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56895178
N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95257231
N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamide
CID 307261
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 137888752
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741699
1-ethyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 58817809
CID 59028689
CID 59028689
CID 59028719
CID 59028719

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133355640) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCC(Nc1ncnc2[nH]ncc12)c1noc(C)n1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RJIWSCNAJXQVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-3-8(11-15-6(2)19-18-11)16-9-7-4-14-17-10(7)13-5-12-9/h4-5,8H,3H2,1-2H3,(H2,12,13,14,16,17).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133355640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).