2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C11H16N6 — CID 157128090

IUPAC2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=CC(CN(C)c2nc(N)nc(N)n2)=CC1
InChIInChI=1S/C11H16N6/c1-7-3-4-8(5-7)6-17(2)11-15-9(12)14-10(13)16-11/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyZSUAYSPZIKTUCA-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.75
Rot. Bonds3

About 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 157128090) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID157128090
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC1=CC(CN(C)c2nc(N)nc(N)n2)=CC1
InChIInChI=1S/C11H16N6/c1-7-3-4-8(5-7)6-17(2)11-15-9(12)14-10(13)16-11/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyZSUAYSPZIKTUCA-UHFFFAOYSA-N
XLogP0.75
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 157128090) is 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CC1=CC(CN(C)c2nc(N)nc(N)n2)=CC1.
What is the InChIKey of 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZSUAYSPZIKTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-3-4-8(5-7)6-17(2)11-15-9(12)14-10(13)16-11/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157128090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).