N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine

C9H9N7O — CID 114184557

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
SMILESc1nc(NCCc2ncon2)c2[nH]cnc2n1
InChIInChI=1S/C9H9N7O/c1(6-15-5-17-16-6)2-10-8-7-9(12-3-11-7)14-4-13-8/h3-5H,1-2H2,(H2,10,11,12,13,14)
InChIKeyUIWJHVRGYMODLR-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.39
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 114184557) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID114184557
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
SMILESc1nc(NCCc2ncon2)c2[nH]cnc2n1
InChIInChI=1S/C9H9N7O/c1(6-15-5-17-16-6)2-10-8-7-9(12-3-11-7)14-4-13-8/h3-5H,1-2H2,(H2,10,11,12,13,14)
InChIKeyUIWJHVRGYMODLR-UHFFFAOYSA-N
XLogP0.39
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-7H-purin-6-amine
CID 133390542
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
CID 519855
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine (CID 114184557) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine is c1nc(NCCc2ncon2)c2[nH]cnc2n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is UIWJHVRGYMODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c1(6-15-5-17-16-6)2-10-8-7-9(12-3-11-7)14-4-13-8/h3-5H,1-2H2,(H2,10,11,12,13,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 231.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 114184557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).