5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine

C11H10F3N7 — CID 121224764

IUPAC5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(/N=N/c2cccc(C(F)(F)F)c2)c(N)n1
InChIInChI=1S/C11H10F3N7/c12-11(13,14)5-2-1-3-6(4-5)20-21-7-8(15)18-10(17)19-9(7)16/h1-4H,(H6,15,16,17,18,19)/b21-20+
InChIKeyAAYHPCPQLDWCPF-QZQOTICOSA-N
MW297.24 g/mol
LogP2.66
Rot. Bonds2

About 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine

5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine (PubChem CID 121224764) has the molecular formula C11H10F3N7 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
PubChem CID121224764
Molecular FormulaC11H10F3N7
Molecular Weight297.24 g/mol
Exact Mass297.09
IUPAC Name5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(/N=N/c2cccc(C(F)(F)F)c2)c(N)n1
InChIInChI=1S/C11H10F3N7/c12-11(13,14)5-2-1-3-6(4-5)20-21-7-8(15)18-10(17)19-9(7)16/h1-4H,(H6,15,16,17,18,19)/b21-20+
InChIKeyAAYHPCPQLDWCPF-QZQOTICOSA-N
XLogP2.66
TPSA128.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]aniline
CID 125464946
3-(4-bromophenyl)-1-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine
CID 4074477
2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
CID 137150175
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 142659934
(2-methylsulfanyl-1H-indol-3-yl)-[3-(trifluoromethyl)phenyl]diazene
CID 4271560
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
2,4-diamino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396194
6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
CID 56695197
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
2-(1,3-benzothiazol-2-yl)-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol
CID 137078966

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine (CID 121224764) is 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine is Nc1nc(N)c(/N=N/c2cccc(C(F)(F)F)c2)c(N)n1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine?
The InChIKey is AAYHPCPQLDWCPF-QZQOTICOSA-N. The full InChI is InChI=1S/C11H10F3N7/c12-11(13,14)5-2-1-3-6(4-5)20-21-7-8(15)18-10(17)19-9(7)16/h1-4H,(H6,15,16,17,18,19)/b21-20+.
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine?
5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine has a molecular weight of 297.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 121224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).