4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C11H16N8O — CID 106411902

IUPAC4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ncon2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N8O/c1-12-9-15-10(13-6-8-14-7-20-18-8)17-11(16-9)19-4-2-3-5-19/h7H,2-6H2,1H3,(H2,12,13,15,16,17)
InChIKeyQJDNEWLSNYXQDE-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.51
Rot. Bonds5

About 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106411902) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106411902
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2ncon2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N8O/c1-12-9-15-10(13-6-8-14-7-20-18-8)17-11(16-9)19-4-2-3-5-19/h7H,2-6H2,1H3,(H2,12,13,15,16,17)
InChIKeyQJDNEWLSNYXQDE-UHFFFAOYSA-N
XLogP0.51
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-ethyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411797
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106412293
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
4-N-methyl-6-piperidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783369
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 106411902) is 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NCc2ncon2)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QJDNEWLSNYXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-12-9-15-10(13-6-8-14-7-20-18-8)17-11(16-9)19-4-2-3-5-19/h7H,2-6H2,1H3,(H2,12,13,15,16,17).
What are the key properties of 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106411902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).