4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

C7H4F3N5 — CID 164652226

IUPAC4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESFc1nc(Cn2cncn2)nc(F)c1F
InChIInChI=1S/C7H4F3N5/c8-5-6(9)13-4(14-7(5)10)1-15-3-11-2-12-15/h2-3H,1H2
InChIKeyZGFOZTAQIFEQBY-UHFFFAOYSA-N
MW215.14 g/mol
LogP0.53
Rot. Bonds2

About 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (PubChem CID 164652226) has the molecular formula C7H4F3N5 and a molecular weight of 215.14 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
PubChem CID164652226
Molecular FormulaC7H4F3N5
Molecular Weight215.14 g/mol
Exact Mass215.04
IUPAC Name4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESFc1nc(Cn2cncn2)nc(F)c1F
InChIInChI=1S/C7H4F3N5/c8-5-6(9)13-4(14-7(5)10)1-15-3-11-2-12-15/h2-3H,1H2
InChIKeyZGFOZTAQIFEQBY-UHFFFAOYSA-N
XLogP0.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 80664132
[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655682
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
N-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 130979798
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
CID 89392934
CID 89392934
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol
CID 91596828

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CID 164652226) is 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is Fc1nc(Cn2cncn2)nc(F)c1F.
What is the InChIKey of 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The InChIKey is ZGFOZTAQIFEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5/c8-5-6(9)13-4(14-7(5)10)1-15-3-11-2-12-15/h2-3H,1H2.
What are the key properties of 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine has a molecular weight of 215.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is sourced from PubChem (CID 164652226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).