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

C7H4Cl2FN5 — CID 130934564

IUPAC4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(Cn2cncn2)nc1Cl
InChIInChI=1S/C7H4Cl2FN5/c8-6-5(10)7(9)14-4(13-6)1-15-3-11-2-12-15/h2-3H,1H2
InChIKeyISQIJXZJYZXZFJ-UHFFFAOYSA-N
MW248.05 g/mol
LogP1.56
Rot. Bonds2

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

4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (PubChem CID 130934564) has the molecular formula C7H4Cl2FN5 and a molecular weight of 248.05 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
PubChem CID130934564
Molecular FormulaC7H4Cl2FN5
Molecular Weight248.05 g/mol
Exact Mass246.98
IUPAC Name4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(Cn2cncn2)nc1Cl
InChIInChI=1S/C7H4Cl2FN5/c8-6-5(10)7(9)14-4(13-6)1-15-3-11-2-12-15/h2-3H,1H2
InChIKeyISQIJXZJYZXZFJ-UHFFFAOYSA-N
XLogP1.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CID 130934564) is 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is Fc1c(Cl)nc(Cn2cncn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The InChIKey is ISQIJXZJYZXZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2FN5/c8-6-5(10)7(9)14-4(13-6)1-15-3-11-2-12-15/h2-3H,1H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine has a molecular weight of 248.05 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is sourced from PubChem (CID 130934564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).