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

C11H16N8O — CID 106411701

IUPAC2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc(N3CCCC3)n2)no1
InChIInChI=1S/C11H16N8O/c1-7-14-8(18-20-7)6-13-10-15-9(12)16-11(17-10)19-4-2-3-5-19/h2-6H2,1H3,(H3,12,13,15,16,17)
InChIKeyYEMTVHZLWAUOFJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.36
Rot. Bonds4

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

2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106411701) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106411701
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc(N3CCCC3)n2)no1
InChIInChI=1S/C11H16N8O/c1-7-14-8(18-20-7)6-13-10-15-9(12)16-11(17-10)19-4-2-3-5-19/h2-6H2,1H3,(H3,12,13,15,16,17)
InChIKeyYEMTVHZLWAUOFJ-UHFFFAOYSA-N
XLogP0.36
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-[2-(dimethylamino)-2-methylpropyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80812452
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106412293

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 106411701) is 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Cc1nc(CNc2nc(N)nc(N3CCCC3)n2)no1.
What is the InChIKey of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YEMTVHZLWAUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-7-14-8(18-20-7)6-13-10-15-9(12)16-11(17-10)19-4-2-3-5-19/h2-6H2,1H3,(H3,12,13,15,16,17).
What are the key properties of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106411701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).