N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine

C8H10F2N6 — CID 166003739

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1cnnc1Nc1cc(C(F)F)nn1C
InChIInChI=1S/C8H10F2N6/c1-15-4-11-13-8(15)12-6-3-5(7(9)10)14-16(6)2/h3-4,7H,1-2H3,(H,12,13)
InChIKeyNHLTXGKQTURCKY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.23
Rot. Bonds3

About N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine

N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 166003739) has the molecular formula C8H10F2N6 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID166003739
Molecular FormulaC8H10F2N6
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1cnnc1Nc1cc(C(F)F)nn1C
InChIInChI=1S/C8H10F2N6/c1-15-4-11-13-8(15)12-6-3-5(7(9)10)14-16(6)2/h3-4,7H,1-2H3,(H,12,13)
InChIKeyNHLTXGKQTURCKY-UHFFFAOYSA-N
XLogP1.23
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-propylpropane-1,3-diamine
CID 139482718
N-[5-(difluoromethyl)-2-methylpyrazol-3-yl]imidazole-1-carbothioamide
CID 146278903
4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine
CID 166003674
4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
CID 166003699
4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine
CID 166003708
3-[5-(Difluoromethyl)pyrazol-1-yl]-4,5-dimethyl-1,2,4-triazole
CID 173589713
4-Cyclopropyl-3-[5-(difluoromethyl)pyrazol-1-yl]-1,2,4-triazole
CID 173589714
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-propan-2-yl-1,2,4-triazole
CID 173589715
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
CID 173589721
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 173589722
3-[5-(Difluoromethyl)pyrazol-1-yl]-4-ethyl-1,2,4-triazole
CID 173589728
4-Methyl-3-[5-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazole
CID 173589732

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine (CID 166003739) is N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine is Cn1cnnc1Nc1cc(C(F)F)nn1C.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is NHLTXGKQTURCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6/c1-15-4-11-13-8(15)12-6-3-5(7(9)10)14-16(6)2/h3-4,7H,1-2H3,(H,12,13).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine?
N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 228.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 166003739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).