1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one

C14H24N10O — CID 631556

IUPAC1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one
SMILESCN(C)c1nc(N(C)C)nc(-n2c(N(C)C)nc(N(C)C)nc2=O)n1
InChIInChI=1S/C14H24N10O/c1-20(2)9-15-10(21(3)4)17-12(16-9)24-13(23(7)8)18-11(22(5)6)19-14(24)25/h1-8H3
InChIKeyZCOLXGAXKGYCTH-UHFFFAOYSA-N
MW348.42 g/mol
LogP-0.92
Rot. Bonds5

About 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one

1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one (PubChem CID 631556) has the molecular formula C14H24N10O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one
PubChem CID631556
Molecular FormulaC14H24N10O
Molecular Weight348.42 g/mol
Exact Mass348.21
IUPAC Name1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one
SMILESCN(C)c1nc(N(C)C)nc(-n2c(N(C)C)nc(N(C)C)nc2=O)n1
InChIInChI=1S/C14H24N10O/c1-20(2)9-15-10(21(3)4)17-12(16-9)24-13(23(7)8)18-11(22(5)6)19-14(24)25/h1-8H3
InChIKeyZCOLXGAXKGYCTH-UHFFFAOYSA-N
XLogP-0.92
TPSA99.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one?
The IUPAC name of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one (CID 631556) is 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one?
The canonical SMILES for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one is CN(C)c1nc(N(C)C)nc(-n2c(N(C)C)nc(N(C)C)nc2=O)n1.
What is the InChIKey of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one?
The InChIKey is ZCOLXGAXKGYCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N10O/c1-20(2)9-15-10(21(3)4)17-12(16-9)24-13(23(7)8)18-11(22(5)6)19-14(24)25/h1-8H3.
What are the key properties of 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one?
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one has a molecular weight of 348.42 g/mol, XLogP of -0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4,6-bis(dimethylamino)-1,3,5-triazin-2-one is sourced from PubChem (CID 631556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).