7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine

C10H10ClF3N4O — CID 103208767

IUPAC7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(CCOCC(F)(F)F)n12
InChIInChI=1S/C10H10ClF3N4O/c1-6-15-7(11)4-9-17-16-8(18(6)9)2-3-19-5-10(12,13)14/h4H,2-3,5H2,1H3
InChIKeyONKFUDZRAHOHDE-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.21
Rot. Bonds4

About 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 103208767) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID103208767
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(CCOCC(F)(F)F)n12
InChIInChI=1S/C10H10ClF3N4O/c1-6-15-7(11)4-9-17-16-8(18(6)9)2-3-19-5-10(12,13)14/h4H,2-3,5H2,1H3
InChIKeyONKFUDZRAHOHDE-UHFFFAOYSA-N
XLogP2.21
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65427044
5-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 103208772
7-chloro-5-methyl-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428822
7-chloro-3-[(3,4-dichlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425914
7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426482
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103208762
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213668
[4-ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103213774
7-chloro-3-(2-fluoro-6-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65432875
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
4-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine (CID 103208767) is 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(Cl)cc2nnc(CCOCC(F)(F)F)n12.
What is the InChIKey of 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ONKFUDZRAHOHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-6-15-7(11)4-9-17-16-8(18(6)9)2-3-19-5-10(12,13)14/h4H,2-3,5H2,1H3.
What are the key properties of 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 294.66 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 103208767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).