N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide

C12H22N6O — CID 54173456

IUPACN-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide
SMILESCCc1nc(C)nc(N(C)CNCN(C)C(C)=O)n1
InChIInChI=1S/C12H22N6O/c1-6-11-14-9(2)15-12(16-11)18(5)8-13-7-17(4)10(3)19/h13H,6-8H2,1-5H3
InChIKeyOWPRPWVAPAXNAU-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.16
Rot. Bonds6

About N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide

N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide (PubChem CID 54173456) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide
PubChem CID54173456
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide
SMILESCCc1nc(C)nc(N(C)CNCN(C)C(C)=O)n1
InChIInChI=1S/C12H22N6O/c1-6-11-14-9(2)15-12(16-11)18(5)8-13-7-17(4)10(3)19/h13H,6-8H2,1-5H3
InChIKeyOWPRPWVAPAXNAU-UHFFFAOYSA-N
XLogP0.16
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide?
The IUPAC name of N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide (CID 54173456) is N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide?
The canonical SMILES for N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide is CCc1nc(C)nc(N(C)CNCN(C)C(C)=O)n1.
What is the InChIKey of N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide?
The InChIKey is OWPRPWVAPAXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-6-11-14-9(2)15-12(16-11)18(5)8-13-7-17(4)10(3)19/h13H,6-8H2,1-5H3.
What are the key properties of N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide?
N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide has a molecular weight of 266.35 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide is sourced from PubChem (CID 54173456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).