2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H19N7O2 — CID 106411923

IUPAC2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCc2ncon2)nc(OC(C)C)n1
InChIInChI=1S/C12H19N7O2/c1-4-5-13-10-16-11(14-6-9-15-7-20-19-9)18-12(17-10)21-8(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17,18)
InChIKeyJDDXDZPAJSPVIP-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.48
Rot. Bonds8

About 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 106411923) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID106411923
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCc2ncon2)nc(OC(C)C)n1
InChIInChI=1S/C12H19N7O2/c1-4-5-13-10-16-11(14-6-9-15-7-20-19-9)18-12(17-10)21-8(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17,18)
InChIKeyJDDXDZPAJSPVIP-UHFFFAOYSA-N
XLogP1.48
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106405451
4-N-ethyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106412322
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106404662
5-nitro-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 106411838
4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80876739
2-N-(1-methylpyrazol-3-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836931

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 106411923) is 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCc2ncon2)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDDXDZPAJSPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-4-5-13-10-16-11(14-6-9-15-7-20-19-9)18-12(17-10)21-8(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,16,17,18).
What are the key properties of 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.33 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106411923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).