4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine

C11H11ClF3N5 — CID 106768588

IUPAC4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(CC)n(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11ClF3N5/c1-3-7-17-8(4-2)20(19-7)9-5-6(12)16-10(18-9)11(13,14)15/h5H,3-4H2,1-2H3
InChIKeyIMHUNTHBGMXUNB-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768588) has the molecular formula C11H11ClF3N5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768588
Molecular FormulaC11H11ClF3N5
Molecular Weight305.69 g/mol
Exact Mass305.07
IUPAC Name4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(CC)n(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11ClF3N5/c1-3-7-17-8(4-2)20(19-7)9-5-6(12)16-10(18-9)11(13,14)15/h5H,3-4H2,1-2H3
InChIKeyIMHUNTHBGMXUNB-UHFFFAOYSA-N
XLogP2.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine-4-carbonitrile
CID 83076611
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80965269
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
CID 80956877
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968521
2-(chloromethyl)-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrazine
CID 66466424
5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
CID 79728001
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106768588) is 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine is CCc1nc(CC)n(-c2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is IMHUNTHBGMXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5/c1-3-7-17-8(4-2)20(19-7)9-5-6(12)16-10(18-9)11(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 305.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).