1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

C10H12F3N7O — CID 138025248

IUPAC1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C
InChIInChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21)
InChIKeyQUFWPPQEKPKGRX-UHFFFAOYSA-N
MW303.25 g/mol
LogP0.89
Rot. Bonds3

About 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (PubChem CID 138025248) has the molecular formula C10H12F3N7O and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
PubChem CID138025248
Molecular FormulaC10H12F3N7O
Molecular Weight303.25 g/mol
Exact Mass303.11
IUPAC Name1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
SMILESCn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C
InChIInChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21)
InChIKeyQUFWPPQEKPKGRX-UHFFFAOYSA-N
XLogP0.89
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (CID 138025248) is 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is Cn1nc(C(F)(F)F)cc1CNC(=O)Nc1cnnn1C.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
The InChIKey is QUFWPPQEKPKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7O/c1-19-6(3-7(17-19)10(11,12)13)4-14-9(21)16-8-5-15-18-20(8)2/h3,5H,4H2,1-2H3,(H2,14,16,21).
What are the key properties of 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?
1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea has a molecular weight of 303.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is sourced from PubChem (CID 138025248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).