1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol

C9H16N6O — CID 63282010

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol
SMILESCN(C)c1nc(N)nc(CN2CC(O)C2)n1
InChIInChI=1S/C9H16N6O/c1-14(2)9-12-7(11-8(10)13-9)5-15-3-6(16)4-15/h6,16H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyJAFHJUHIHSHMSC-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.30
Rot. Bonds3

About 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol (PubChem CID 63282010) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol
PubChem CID63282010
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol
SMILESCN(C)c1nc(N)nc(CN2CC(O)C2)n1
InChIInChI=1S/C9H16N6O/c1-14(2)9-12-7(11-8(10)13-9)5-15-3-6(16)4-15/h6,16H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyJAFHJUHIHSHMSC-UHFFFAOYSA-N
XLogP-1.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol (CID 63282010) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol is CN(C)c1nc(N)nc(CN2CC(O)C2)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol?
The InChIKey is JAFHJUHIHSHMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-14(2)9-12-7(11-8(10)13-9)5-15-3-6(16)4-15/h6,16H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol has a molecular weight of 224.27 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 63282010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).