4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C11H16N6 — CID 158136349

IUPAC4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCC2=CCC=C2)n1
InChIInChI=1S/C11H16N6/c1-17(2)11-15-9(12)14-10(16-11)13-7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyLURLFBSQPXGQFX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.82
Rot. Bonds4

About 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158136349) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID158136349
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NCC2=CCC=C2)n1
InChIInChI=1S/C11H16N6/c1-17(2)11-15-9(12)14-10(16-11)13-7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyLURLFBSQPXGQFX-UHFFFAOYSA-N
XLogP0.82
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(cyclopenta-1,4-dien-1-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 158412092
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
4-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794517
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
4-N-[(2,5-difluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80845995
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80797100
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 158136349) is 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCC2=CCC=C2)n1.
What is the InChIKey of 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LURLFBSQPXGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17(2)11-15-9(12)14-10(16-11)13-7-8-5-3-4-6-8/h3,5-6H,4,7H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopenta-1,4-dien-1-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158136349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).