2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C10H14N6 — CID 123423104

IUPAC2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C1=CCCC=C1)c1nc(N)nc(N)n1
InChIInChI=1S/C10H14N6/c1-16(7-5-3-2-4-6-7)10-14-8(11)13-9(12)15-10/h3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15)
InChIKeyCTHRAAXGDIXLPE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.71
Rot. Bonds2

About 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 123423104) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID123423104
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C1=CCCC=C1)c1nc(N)nc(N)n1
InChIInChI=1S/C10H14N6/c1-16(7-5-3-2-4-6-7)10-14-8(11)13-9(12)15-10/h3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15)
InChIKeyCTHRAAXGDIXLPE-UHFFFAOYSA-N
XLogP0.71
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 123423104) is 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CN(C1=CCCC=C1)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CTHRAAXGDIXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16(7-5-3-2-4-6-7)10-14-8(11)13-9(12)15-10/h3,5-6H,2,4H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123423104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).