4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

C10H12F3N7S — CID 106434069

IUPAC4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCSC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F3N7S/c1-14-7-17-8(15-4-6-21-10(11,12)13)19-9(18-7)20-5-2-3-16-20/h2-3,5H,4,6H2,1H3,(H2,14,15,17,18,19)
InChIKeyNJZQEIMOTPASMH-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.76
Rot. Bonds6

About 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106434069) has the molecular formula C10H12F3N7S and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID106434069
Molecular FormulaC10H12F3N7S
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCSC(F)(F)F)nc(-n2cccn2)n1
InChIInChI=1S/C10H12F3N7S/c1-14-7-17-8(15-4-6-21-10(11,12)13)19-9(18-7)20-5-2-3-16-20/h2-3,5H,4,6H2,1H3,(H2,14,15,17,18,19)
InChIKeyNJZQEIMOTPASMH-UHFFFAOYSA-N
XLogP1.76
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
4-N-methyl-6-pyrazol-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772976
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813787
2-N-tert-butyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80767982
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80777731
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 106434069) is 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is CNc1nc(NCCSC(F)(F)F)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NJZQEIMOTPASMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7S/c1-14-7-17-8(15-4-6-21-10(11,12)13)19-9(18-7)20-5-2-3-16-20/h2-3,5H,4,6H2,1H3,(H2,14,15,17,18,19).
What are the key properties of 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 319.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106434069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).