4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine

C8H8FN5 — CID 115417257

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
SMILESCc1nc(C)n(-c2cc(F)ncn2)n1
InChIInChI=1S/C8H8FN5/c1-5-12-6(2)14(13-5)8-3-7(9)10-4-11-8/h3-4H,1-2H3
InChIKeyUGWIUJRAAAUZGR-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.81
Rot. Bonds1

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine (PubChem CID 115417257) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
PubChem CID115417257
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
SMILESCc1nc(C)n(-c2cc(F)ncn2)n1
InChIInChI=1S/C8H8FN5/c1-5-12-6(2)14(13-5)8-3-7(9)10-4-11-8/h3-4H,1-2H3
InChIKeyUGWIUJRAAAUZGR-UHFFFAOYSA-N
XLogP0.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine (CID 115417257) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine is Cc1nc(C)n(-c2cc(F)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The InChIKey is UGWIUJRAAAUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-5-12-6(2)14(13-5)8-3-7(9)10-4-11-8/h3-4H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine has a molecular weight of 193.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115417257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).