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

C10H12FN5 — CID 115417275

IUPAC4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
SMILESCCc1nc(CC)n(-c2cc(F)ncn2)n1
InChIInChI=1S/C10H12FN5/c1-3-8-14-9(4-2)16(15-8)10-5-7(11)12-6-13-10/h5-6H,3-4H2,1-2H3
InChIKeyJSSCOKFURRDBQS-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.32
Rot. Bonds3

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

4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine (PubChem CID 115417275) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
PubChem CID115417275
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine
SMILESCCc1nc(CC)n(-c2cc(F)ncn2)n1
InChIInChI=1S/C10H12FN5/c1-3-8-14-9(4-2)16(15-8)10-5-7(11)12-6-13-10/h5-6H,3-4H2,1-2H3
InChIKeyJSSCOKFURRDBQS-UHFFFAOYSA-N
XLogP1.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine (CID 115417275) is 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine is CCc1nc(CC)n(-c2cc(F)ncn2)n1.
What is the InChIKey of 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
The InChIKey is JSSCOKFURRDBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-3-8-14-9(4-2)16(15-8)10-5-7(11)12-6-13-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine?
4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine has a molecular weight of 221.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115417275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).