6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H19FN4 — CID 123583424

IUPAC6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC=C(c1nc2ncc(C(C)(C)C)cn2n1)C(C)F
InChIInChI=1S/C14H19FN4/c1-6-11(9(2)15)12-17-13-16-7-10(14(3,4)5)8-19(13)18-12/h6-9H,1-5H3
InChIKeyJAQQETRHIVCMKQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.18
Rot. Bonds2

About 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 123583424) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID123583424
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC=C(c1nc2ncc(C(C)(C)C)cn2n1)C(C)F
InChIInChI=1S/C14H19FN4/c1-6-11(9(2)15)12-17-13-16-7-10(14(3,4)5)8-19(13)18-12/h6-9H,1-5H3
InChIKeyJAQQETRHIVCMKQ-UHFFFAOYSA-N
XLogP3.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
N-[(1E,3E)-2-(4-chloro-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-4-fluoropenta-1,3-dienyl]methanimine
CID 146406333
6-Tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 146435520
2-(4-Tert-butylpyrazol-1-yl)-5-fluoropyrimidine
CID 153298699
N-[(1E,3E)-2-(4-chloro-8-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl)-4-fluoropenta-1,3-dienyl]methanimine
CID 155220137
3-Tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
CID 164955557
8-[1-[5-tert-butyl-3-fluoro-1-(methylideneamino)-6-methylimino-2-pyridinyl]ethyl]-N,N-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 167294952
6-Tert-butyl-2-(fluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 169598619
5,6-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 174520509
6-Fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine
CID 175870951
8-(2,2,2-Trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 175883231
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794145

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 123583424) is 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CC=C(c1nc2ncc(C(C)(C)C)cn2n1)C(C)F.
What is the InChIKey of 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JAQQETRHIVCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-6-11(9(2)15)12-17-13-16-7-10(14(3,4)5)8-19(13)18-12/h6-9H,1-5H3.
What are the key properties of 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 262.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123583424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).